 Entering Gaussian System, Link 0=g16
 Input=25_methylisochromane_Chair_STD_B3LYPDBJ-def2SVPDr.in
 Output=25_methylisochromane_Chair_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/25_methylisochromane_Chair_STD/Gau-21634.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/25_methylisochromane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     21638.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=25_methylisochromane_Chair_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "25_methylisochromane_Chair_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.475896000000      1.063550000000     -0.098164000000
  C                                                 2.818875000000     -0.266215000000      0.119370000000
  C                                                 1.142334000000      1.417940000000     -0.238522000000
  C                                                 0.125866000000      0.463720000000     -0.164411000000
  C                                                 0.479308000000     -0.873519000000      0.040878000000
  C                                                 1.819829000000     -1.224692000000      0.185806000000
  C                                                -1.334336000000      0.847139000000     -0.328494000000
  C                                                -2.230548000000     -0.293378000000      0.146590000000
  O                                                -1.828910000000     -1.535993000000     -0.399339000000
  C                                                -0.581007000000     -1.944665000000      0.122977000000
  H                                                 3.245503000000      1.822195000000     -0.159561000000
  H                                                 3.856711000000     -0.553358000000      0.228132000000
  H                                                 0.889253000000      2.456036000000     -0.408732000000
  H                                                 2.081007000000     -2.265247000000      0.343936000000
  H                                                -1.525132000000      0.979693000000     -1.399895000000
  C                                                -1.715470000000      2.141812000000      0.391759000000
  H                                                -3.260415000000     -0.130838000000     -0.172010000000
  H                                                -2.217846000000     -0.344198000000      1.246196000000
  H                                                -0.278754000000     -2.821206000000     -0.451456000000
  H                                                -0.704522000000     -2.261367000000      1.170694000000
  H                                                -1.478710000000      2.079067000000      1.455920000000
  H                                                -2.786635000000      2.330893000000      0.291531000000
  H                                                -1.193667000000      3.006125000000     -0.016779000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     23 NQM=       23 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.475896    1.063550   -0.098164
      2          6           0        2.818875   -0.266215    0.119370
      3          6           0        1.142334    1.417940   -0.238522
      4          6           0        0.125866    0.463720   -0.164411
      5          6           0        0.479308   -0.873519    0.040878
      6          6           0        1.819829   -1.224692    0.185806
      7          6           0       -1.334336    0.847139   -0.328494
      8          6           0       -2.230548   -0.293378    0.146590
      9          8           0       -1.828910   -1.535993   -0.399339
     10          6           0       -0.581007   -1.944665    0.122977
     11          1           0        3.245503    1.822195   -0.159561
     12          1           0        3.856711   -0.553358    0.228132
     13          1           0        0.889253    2.456036   -0.408732
     14          1           0        2.081007   -2.265247    0.343936
     15          1           0       -1.525132    0.979693   -1.399895
     16          6           0       -1.715470    2.141812    0.391759
     17          1           0       -3.260415   -0.130838   -0.172010
     18          1           0       -2.217846   -0.344198    1.246196
     19          1           0       -0.278754   -2.821206   -0.451456
     20          1           0       -0.704522   -2.261367    1.170694
     21          1           0       -1.478710    2.079067    1.455920
     22          1           0       -2.786635    2.330893    0.291531
     23          1           0       -1.193667    3.006125   -0.016779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.390407   0.000000
     3  C    1.386968   2.403176   0.000000
     4  C    2.426278   2.804574   1.396150   0.000000
     5  C    2.785307   2.418378   2.401760   1.398311   0.000000
     6  C    2.397314   1.386068   2.760898   2.417209   1.393314
     7  C    3.823317   4.323112   2.543188   1.518593   2.527134
     8  C    4.904261   5.049569   3.801743   2.494515   2.773276
     9  O    5.037825   4.845957   4.192836   2.806277   2.441420
    10  C    4.294522   3.791623   3.795747   2.526377   1.509424
    11  H    1.082408   2.149714   2.143123   3.402589   3.867672
    12  H    2.151165   1.082305   3.386979   3.886868   3.397708
    13  H    2.133754   3.378311   1.081973   2.147504   3.384692
    14  H    3.381165   2.142664   3.845287   3.395328   2.143406
    15  H    4.208297   4.767688   2.942146   2.125663   3.086746
    16  C    4.355482   5.141311   3.014679   2.552614   3.745983
    17  H    5.859802   6.087774   4.667691   3.438089   3.818694
    18  H    5.081365   5.161819   4.074350   2.852285   3.001268
    19  H    4.775379   4.055752   4.476069   3.322176   2.147216
    20  H    4.772854   4.183329   4.351329   3.146132   2.145707
    21  H    4.368679   5.075032   3.190313   2.794545   3.814963
    22  H    5.426993   6.180320   4.068321   3.489539   4.582299
    23  H    4.152820   5.179502   2.833444   2.868237   4.225377
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.808641   0.000000
     8  C    4.156253   1.526329   0.000000
     9  O    3.708450   2.434942   1.415431   0.000000
    10  C    2.507254   2.926688   2.334158   1.413184   0.000000
    11  H    3.381619   4.685531   5.878479   6.089712   5.376917
    12  H    2.145080   5.405386   6.093354   5.803928   4.651896
    13  H    3.842812   2.745785   4.195333   4.829575   4.670176
    14  H    1.084423   4.669441   4.745179   4.046198   2.690337
    15  H    4.308425   1.096300   2.123661   2.724348   3.429633
    16  C    4.886113   1.529773   2.501112   3.763636   4.249535
    17  H    5.208976   2.165804   1.090207   2.018749   3.249033
    18  H    4.266441   2.163220   1.100853   2.068679   2.549972
    19  H    2.712750   3.819179   3.249165   2.014317   1.090713
    20  H    2.901215   3.508139   2.692680   2.062867   1.101484
    21  H    4.838220   2.173160   2.812135   4.078392   4.332785
    22  H    5.820041   2.166825   2.686455   4.043185   4.813897
    23  H    5.198270   2.185904   3.462446   4.602252   4.990512
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.483371   0.000000
    13  H    2.452704   4.274091   0.000000
    14  H    4.279806   2.469230   4.927200   0.000000
    15  H    5.000720   5.827946   2.998541   5.155077   0.000000
    16  C    5.001736   6.191923   2.743010   5.817018   2.144009
    17  H    6.792751   7.140877   4.895682   5.775179   2.398372
    18  H    6.042979   6.162828   4.498240   4.794230   3.038805
    19  H    5.836674   4.765191   5.405122   2.551511   4.110940
    20  H    5.835045   4.960904   5.223849   2.905635   4.217321
    21  H    4.999395   6.074853   3.037479   5.725483   3.060467
    22  H    6.070333   7.242718   3.744086   6.694863   2.505604
    23  H    4.596554   6.183544   2.189699   6.216186   2.475743
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.805286   0.000000
    18  H    2.676320   1.773071   0.000000
    19  H    5.235142   4.025726   3.574587   0.000000
    20  H    4.584402   3.588119   2.443642   1.768069   0.000000
    21  H    1.091985   3.272355   2.542149   5.393575   4.418154
    22  H    1.092333   2.549403   2.896725   5.778029   5.118298
    23  H    1.089137   3.759798   3.724072   5.914710   5.421792
                   21         22         23
    21  H    0.000000
    22  H    1.769148   0.000000
    23  H    1.763385   1.757424   0.000000
 Stoichiometry    C10H12O
 Framework group  C1[X(C10H12O)]
 Deg. of freedom    63
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.475896    1.063550   -0.098164
      2          6           0        2.818875   -0.266215    0.119370
      3          6           0        1.142334    1.417940   -0.238522
      4          6           0        0.125866    0.463720   -0.164411
      5          6           0        0.479308   -0.873519    0.040878
      6          6           0        1.819829   -1.224692    0.185806
      7          6           0       -1.334336    0.847139   -0.328494
      8          6           0       -2.230548   -0.293378    0.146590
      9          8           0       -1.828910   -1.535993   -0.399339
     10          6           0       -0.581007   -1.944665    0.122977
     11          1           0        3.245503    1.822195   -0.159561
     12          1           0        3.856711   -0.553358    0.228132
     13          1           0        0.889253    2.456036   -0.408732
     14          1           0        2.081007   -2.265247    0.343936
     15          1           0       -1.525132    0.979693   -1.399895
     16          6           0       -1.715470    2.141812    0.391759
     17          1           0       -3.260415   -0.130838   -0.172010
     18          1           0       -2.217846   -0.344198    1.246196
     19          1           0       -0.278754   -2.821206   -0.451456
     20          1           0       -0.704522   -2.261367    1.170694
     21          1           0       -1.478710    2.079067    1.455920
     22          1           0       -2.786635    2.330893    0.291531
     23          1           0       -1.193667    3.006125   -0.016779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.8103692           1.0572860           0.6960413
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     17     18     19     20     21
 Centers:      22     23
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     16
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   341 symmetry adapted cartesian basis functions of A   symmetry.
 There are   319 symmetry adapted basis functions of A   symmetry.
   319 basis functions,   475 primitive gaussians,   341 cartesian basis functions
    40 alpha electrons       40 beta electrons
       nuclear repulsion energy       605.7646973284 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   23 NActive=   23 NUniq=   23 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0436667127 Hartrees.
 Nuclear repulsion after empirical dispersion term =      605.7210306157 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               7.7 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   319 RedAO= T EigKep=  4.87D-06  NBF=   319
 NBsUse=   319 1.00D-06 EigRej= -1.00D+00 NBFU=   319
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   341   341   341   341   341 MxSgAt=    23 MxSgA2=    23.
 Leave Link  302 at Fri Jul 16 13:10:07 2021, MaxMem=  5637144576 cpu:              12.6 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:07 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "25_methylisochromane_Chair_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:               3.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636905899 LenY=  5636789177
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -463.237911643960    
 DIIS: error= 3.28D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -463.237911643960     IErMin= 1 ErrMin= 3.28D-03
 ErrMax= 3.28D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.64D-03 BMatP= 7.64D-03
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.28D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.229 Goal=   None    Shift=    0.000
 GapD=    0.229 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.89D-02 MaxDP=7.36D-01              OVMax= 1.53D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.29D-02    CP:  1.42D+00
 E= -463.244737728159     Delta-E=       -0.006826084199 Rises=F Damp=F
 DIIS: error= 5.80D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -463.244737728159     IErMin= 2 ErrMin= 5.80D-04
 ErrMax= 5.80D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-04 BMatP= 7.64D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.80D-03
 Coeff-Com:  0.455D-01 0.955D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.452D-01 0.955D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=8.49D-04 MaxDP=3.65D-02 DE=-6.83D-03 OVMax= 8.00D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.81D-04    CP:  1.44D+00  1.04D+00
 E= -463.244540118194     Delta-E=        0.000197609966 Rises=F Damp=F
 DIIS: error= 9.21D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -463.244737728159     IErMin= 2 ErrMin= 5.80D-04
 ErrMax= 9.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.81D-04 BMatP= 2.88D-04
 IDIUse=3 WtCom= 2.48D-01 WtEn= 7.52D-01
 Coeff-Com: -0.141D-01 0.593D+00 0.421D+00
 Coeff-En:   0.000D+00 0.630D+00 0.370D+00
 Coeff:     -0.350D-02 0.621D+00 0.383D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=1.29D-04 MaxDP=4.61D-03 DE= 1.98D-04 OVMax= 4.58D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.35D-05    CP:  1.44D+00  1.04D+00  6.83D-01
 E= -463.244976338455     Delta-E=       -0.000436220262 Rises=F Damp=F
 DIIS: error= 7.50D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -463.244976338455     IErMin= 4 ErrMin= 7.50D-05
 ErrMax= 7.50D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.59D-06 BMatP= 2.88D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.764D-02 0.231D+00 0.139D+00 0.637D+00
 Coeff:     -0.764D-02 0.231D+00 0.139D+00 0.637D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=3.70D-05 MaxDP=1.42D-03 DE=-4.36D-04 OVMax= 5.69D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.59D-05    CP:  1.44D+00  1.04D+00  6.54D-01  1.03D+00
 E= -463.244980536945     Delta-E=       -0.000004198489 Rises=F Damp=F
 DIIS: error= 3.05D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -463.244980536945     IErMin= 5 ErrMin= 3.05D-05
 ErrMax= 3.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.77D-07 BMatP= 4.59D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.180D-02 0.286D-01 0.112D-01 0.287D+00 0.675D+00
 Coeff:     -0.180D-02 0.286D-01 0.112D-01 0.287D+00 0.675D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=1.90D-05 MaxDP=6.73D-04 DE=-4.20D-06 OVMax= 3.11D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.59D-06    CP:  1.44D+00  1.04D+00  6.62D-01  1.03D+00  7.87D-01
 E= -463.244981076823     Delta-E=       -0.000000539878 Rises=F Damp=F
 DIIS: error= 8.73D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -463.244981076823     IErMin= 6 ErrMin= 8.73D-06
 ErrMax= 8.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.81D-08 BMatP= 5.77D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.699D-03 0.664D-02 0.489D-03 0.133D+00 0.382D+00 0.478D+00
 Coeff:     -0.699D-03 0.664D-02 0.489D-03 0.133D+00 0.382D+00 0.478D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=4.73D-06 MaxDP=1.47D-04 DE=-5.40D-07 OVMax= 1.55D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.31D-06    CP:  1.44D+00  1.04D+00  6.65D-01  1.02D+00  8.11D-01
                    CP:  7.12D-01
 E= -463.244981152624     Delta-E=       -0.000000075801 Rises=F Damp=F
 DIIS: error= 3.18D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -463.244981152624     IErMin= 7 ErrMin= 3.18D-06
 ErrMax= 3.18D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-08 BMatP= 7.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.479D-04-0.187D-02-0.210D-02 0.196D-01 0.887D-01 0.290D+00
 Coeff-Com:  0.606D+00
 Coeff:     -0.479D-04-0.187D-02-0.210D-02 0.196D-01 0.887D-01 0.290D+00
 Coeff:      0.606D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=1.69D-06 MaxDP=6.87D-05 DE=-7.58D-08 OVMax= 4.67D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.70D-07    CP:  1.44D+00  1.04D+00  6.64D-01  1.03D+00  8.03D-01
                    CP:  7.36D-01  6.77D-01
 E= -463.244981164775     Delta-E=       -0.000000012151 Rises=F Damp=F
 DIIS: error= 5.02D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -463.244981164775     IErMin= 8 ErrMin= 5.02D-07
 ErrMax= 5.02D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.06D-10 BMatP= 1.06D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.802D-05-0.948D-03-0.777D-03 0.194D-02 0.190D-01 0.930D-01
 Coeff-Com:  0.239D+00 0.649D+00
 Coeff:      0.802D-05-0.948D-03-0.777D-03 0.194D-02 0.190D-01 0.930D-01
 Coeff:      0.239D+00 0.649D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=3.11D-07 MaxDP=1.58D-05 DE=-1.22D-08 OVMax= 4.76D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.82D-07    CP:  1.44D+00  1.04D+00  6.64D-01  1.03D+00  8.06D-01
                    CP:  7.41D-01  6.93D-01  8.17D-01
 E= -463.244981164937     Delta-E=       -0.000000000162 Rises=F Damp=F
 DIIS: error= 2.38D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -463.244981164937     IErMin= 9 ErrMin= 2.38D-07
 ErrMax= 2.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.12D-11 BMatP= 2.06D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.920D-05-0.324D-03-0.195D-03-0.104D-02 0.116D-02 0.212D-01
 Coeff-Com:  0.699D-01 0.352D+00 0.558D+00
 Coeff:      0.920D-05-0.324D-03-0.195D-03-0.104D-02 0.116D-02 0.212D-01
 Coeff:      0.699D-01 0.352D+00 0.558D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=9.12D-08 MaxDP=5.70D-06 DE=-1.62D-10 OVMax= 2.43D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.50D-08    CP:  1.44D+00  1.04D+00  6.64D-01  1.03D+00  8.06D-01
                    CP:  7.43D-01  6.96D-01  8.10D-01  6.93D-01
 E= -463.244981165011     Delta-E=       -0.000000000074 Rises=F Damp=F
 DIIS: error= 7.11D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -463.244981165011     IErMin=10 ErrMin= 7.11D-08
 ErrMax= 7.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.82D-12 BMatP= 4.12D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.486D-05-0.123D-03-0.600D-04-0.722D-03-0.677D-03 0.530D-02
 Coeff-Com:  0.227D-01 0.152D+00 0.316D+00 0.506D+00
 Coeff:      0.486D-05-0.123D-03-0.600D-04-0.722D-03-0.677D-03 0.530D-02
 Coeff:      0.227D-01 0.152D+00 0.316D+00 0.506D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=2.95D-08 MaxDP=1.15D-06 DE=-7.37D-11 OVMax= 1.04D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.58D-08    CP:  1.44D+00  1.04D+00  6.64D-01  1.03D+00  8.06D-01
                    CP:  7.43D-01  6.96D-01  8.14D-01  7.07D-01  8.11D-01
 E= -463.244981164984     Delta-E=        0.000000000027 Rises=F Damp=F
 DIIS: error= 2.69D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -463.244981165011     IErMin=11 ErrMin= 2.69D-08
 ErrMax= 2.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.92D-13 BMatP= 3.82D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.101D-05-0.632D-05 0.385D-05-0.231D-03-0.685D-03-0.111D-02
 Coeff-Com: -0.230D-03 0.205D-01 0.758D-01 0.290D+00 0.616D+00
 Coeff:      0.101D-05-0.632D-05 0.385D-05-0.231D-03-0.685D-03-0.111D-02
 Coeff:     -0.230D-03 0.205D-01 0.758D-01 0.290D+00 0.616D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=9.76D-09 MaxDP=3.95D-07 DE= 2.71D-11 OVMax= 3.18D-07

 SCF Done:  E(RB3LYP) =  -463.244981165     A.U. after   11 cycles
            NFock= 11  Conv=0.98D-08     -V/T= 2.0113
 KE= 4.580465039450D+02 PE=-2.285028093367D+03 EE= 7.580155776413D+02
 Leave Link  502 at Fri Jul 16 13:12:45 2021, MaxMem=  5637144576 cpu:            1246.6 elap:             156.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   319
 NBasis=   319 NAE=    40 NBE=    40 NFC=     0 NFV=     0
 NROrb=    319 NOA=    40 NOB=    40 NVA=   279 NVB=   279

 **** Warning!!: The largest alpha MO coefficient is  0.73564529D+02

 Leave Link  801 at Fri Jul 16 13:12:45 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6946 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          23
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.86D-13 8.33D-09 XBig12= 1.00D+00 5.35D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.86D-13 8.33D-09 XBig12= 4.08D-01 1.23D-01.
     11 vectors produced by pass  2 Test12= 1.86D-13 8.33D-09 XBig12= 5.55D-02 5.77D-02.
     11 vectors produced by pass  3 Test12= 1.86D-13 8.33D-09 XBig12= 4.55D-03 1.75D-02.
     11 vectors produced by pass  4 Test12= 1.86D-13 8.33D-09 XBig12= 6.86D-04 8.84D-03.
     11 vectors produced by pass  5 Test12= 1.86D-13 8.33D-09 XBig12= 3.51D-05 1.27D-03.
     11 vectors produced by pass  6 Test12= 1.86D-13 8.33D-09 XBig12= 8.31D-07 1.64D-04.
     11 vectors produced by pass  7 Test12= 1.86D-13 8.33D-09 XBig12= 1.57D-08 1.50D-05.
     11 vectors produced by pass  8 Test12= 1.86D-13 8.33D-09 XBig12= 3.27D-10 2.32D-06.
      8 vectors produced by pass  9 Test12= 1.86D-13 8.33D-09 XBig12= 3.66D-12 2.46D-07.
      3 vectors produced by pass 10 Test12= 1.86D-13 8.33D-09 XBig12= 4.26D-14 4.36D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.97D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.149952D+03
      2 -0.259750D+01  0.132912D+03
      3  0.945127D+00 -0.481835D+01  0.824686D+02
 Isotropic polarizability for W=    0.085645      121.78 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.133111D+03  0.844779D+01 -0.562215D+01
      2  -0.704842D+02  0.179186D+02 -0.134374D+02
      3  -0.626271D+02 -0.263664D+02  0.190595D+02
      4   0.565643D+02  0.597972D+02 -0.190399D+02
      5   0.161476D+02 -0.195434D+02 -0.169191D+02
      6  -0.552023D+01  0.119692D+02  0.182768D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.453600D+01  0.221191D+00 -0.114989D+02
      2   0.581335D+01 -0.126028D+02 -0.462508D+01
      3   0.750274D+01 -0.469652D+02  0.985488D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.503513D+00  0.254065D+02 -0.446432D+02
      2  -0.217697D+02 -0.135196D+02  0.457079D+02
      3   0.481165D+02 -0.130281D+03  0.140231D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.149982D+01 -0.105403D+01  0.143320D+01
      2  -0.105403D+01  0.381553D+01  0.232588D+01
      3   0.143320D+01  0.232588D+01 -0.527598D+00
 OR G Eigenvalues:    -3.2632     0.1986     4.8526  Iso=    -0.5960
 Eigenvectors:
   (1)   0.704758   0.313976  -0.636188
   (2)   0.706267  -0.225681   0.671010
   (3)  -0.067106   0.922219   0.380801
 w=    0.085645 a.u., Optical Rotation Beta=     -0.5960 au.
 Molar Mass =    148.2042 grams/mole, [Alpha] ( 5320.0 A) =     -190.74 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   51040 ScalPx= 4.90D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   51040 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.79D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.10D-14 2.78D-09 XBig12= 1.00D+00 3.20D-01.
     30 vectors produced by pass  1 Test12= 3.10D-14 2.78D-09 XBig12= 6.80D-02 5.07D-02.
     30 vectors produced by pass  2 Test12= 3.10D-14 2.78D-09 XBig12= 1.88D-03 4.68D-03.
     30 vectors produced by pass  3 Test12= 3.10D-14 2.78D-09 XBig12= 3.07D-05 5.42D-04.
     30 vectors produced by pass  4 Test12= 3.10D-14 2.78D-09 XBig12= 2.44D-07 5.20D-05.
     30 vectors produced by pass  5 Test12= 3.10D-14 2.78D-09 XBig12= 7.71D-10 3.49D-06.
     30 vectors produced by pass  6 Test12= 3.10D-14 2.78D-09 XBig12= 2.12D-12 1.79D-07.
     10 vectors produced by pass  7 Test12= 3.10D-14 2.78D-09 XBig12= 4.27D-15 7.76D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   220 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   51040 ScalPx= 1.26D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   51040 ScalPx= 1.26D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   51040 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.55D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149952D+03 -0.259750D+01  0.945127D+00
      2  -0.259750D+01  0.132912D+03 -0.481835D+01
      3   0.945127D+00 -0.481835D+01  0.824686D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.453600D+01  0.221191D+00 -0.114989D+02
      2   0.581335D+01 -0.126028D+02 -0.462508D+01
      3   0.750274D+01 -0.469652D+02  0.985488D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.133111D+03  0.844779D+01 -0.562215D+01
      2  -0.704842D+02  0.179186D+02 -0.134374D+02
      3  -0.626271D+02 -0.263664D+02  0.190595D+02
      4   0.565643D+02  0.597972D+02 -0.190399D+02
      5   0.161476D+02 -0.195434D+02 -0.169191D+02
      6  -0.552023D+01  0.119692D+02  0.182768D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.913178D+00  0.168891D+01 -0.652016D+00  0.503683D+01 -0.805398D+00
      2   0.168891D+01  0.178038D+01 -0.222441D+00 -0.805398D+00  0.236351D+01
      3  -0.652016D+00 -0.222441D+00  0.162835D+01  0.987824D+00  0.323859D+00
                 6             7             8             9            10 
      1   0.987824D+00 -0.105473D+01  0.633926D+00  0.396968D+01  0.509941D+01
      2   0.323859D+00  0.633926D+00  0.795078D+00  0.320825D+01 -0.903105D+00
      3   0.157009D+01  0.396968D+01  0.320825D+01 -0.670398D+00 -0.258139D+00
                11            12            13            14            15 
      1  -0.903105D+00 -0.258139D+00 -0.182715D+01 -0.184305D+01  0.878698D+00
      2   0.257556D+01 -0.621346D-02 -0.184305D+01 -0.273332D+01  0.119050D+00
      3  -0.621346D-02  0.199918D+01  0.878698D+00  0.119050D+00 -0.582231D+00
                16            17            18            19            20 
      1  -0.191589D+00  0.940557D+00  0.525070D+01  0.145364D+01 -0.499654D+01
      2   0.940557D+00  0.244906D+00 -0.123089D+01 -0.499654D+01 -0.853028D+00
      3   0.525070D+01 -0.123089D+01  0.987968D+00  0.669665D+00 -0.186512D+00
                21            22            23            24            25 
      1   0.669665D+00  0.496648D+01 -0.129094D+01  0.135443D+00 -0.738791D-01
      2  -0.186512D+00 -0.129094D+01  0.220971D+01  0.575641D+00 -0.235898D+00
      3  -0.575817D+00  0.135443D+00  0.575641D+00  0.156452D+01 -0.167637D+00
                26            27            28            29            30 
      1  -0.235898D+00 -0.167637D+00 -0.145120D+02  0.512877D+01 -0.163513D+01
      2   0.526491D+00  0.373221D+01  0.512877D+01 -0.494638D+01  0.763008D+00
      3   0.373221D+01 -0.170227D+01 -0.163513D+01  0.763008D+00 -0.146729D+01
                31            32            33            34            35 
      1   0.839157D+01  0.246526D+01 -0.278482D+00 -0.114833D+01 -0.653383D+00
      2   0.246526D+01  0.253940D+01  0.105168D+00 -0.653383D+00 -0.894251D-01
      3  -0.278482D+00  0.105168D+00  0.788016D-01 -0.296489D+01  0.130171D+01
                36            37            38            39            40 
      1  -0.296489D+01 -0.307818D+00 -0.458770D+01  0.602748D+00 -0.132499D+02
      2   0.130171D+01 -0.458770D+01 -0.701810D+01  0.111832D+01 -0.324105D+01
      3  -0.130866D+01  0.602748D+00  0.111832D+01 -0.116245D+01  0.245006D+00
                41            42            43            44            45 
      1  -0.324105D+01  0.245006D+00  0.205368D+01 -0.191949D-01 -0.199969D+01
      2  -0.715825D+01  0.259590D+00 -0.191949D-01 -0.220771D+00 -0.289023D+01
      3   0.259590D+00 -0.757428D+00 -0.199969D+01 -0.289023D+01  0.638660D+00
                46            47            48            49            50 
      1  -0.316682D+01  0.382396D+01 -0.602725D+00 -0.431359D+01  0.553137D+00
      2   0.382396D+01  0.316824D+01 -0.899583D-01  0.553137D+00 -0.470403D+00
      3  -0.602725D+00 -0.899583D-01 -0.265562D-01  0.456474D-01 -0.607818D+00
                51            52            53            54            55 
      1   0.456474D-01  0.891325D-01  0.775113D+00  0.170702D+01  0.364875D+01
      2  -0.607818D+00  0.775113D+00 -0.310310D+00 -0.366943D+01 -0.925766D+00
      3  -0.172752D+01  0.170702D+01 -0.366943D+01  0.136079D+01  0.105004D+01
                56            57            58            59            60 
      1  -0.925766D+00  0.105004D+01 -0.151730D+01  0.431109D+01 -0.488492D+00
      2   0.324715D+01 -0.393132D+00  0.431109D+01 -0.190770D+01 -0.172529D+01
      3  -0.393132D+00  0.172509D+01 -0.488492D+00 -0.172529D+01 -0.965812D+00
                61            62            63            64            65 
      1   0.330246D+01 -0.790691D+00  0.332339D+01  0.712217D+01 -0.187759D+01
      2  -0.790691D+00 -0.194694D+01 -0.140597D+01 -0.187759D+01 -0.227948D+01
      3   0.332339D+01 -0.140597D+01  0.799492D+01  0.168953D+01 -0.150953D-01
                66            67            68            69            70 
      1   0.168953D+01 -0.413354D+01 -0.136006D+01  0.681330D+00  0.203656D+01
      2  -0.150953D-01 -0.136006D+01  0.144140D+01  0.123613D+01  0.116062D+00
      3  -0.515101D-01  0.681330D+00  0.123613D+01 -0.507094D+00  0.190017D+01
                71            72            73            74            75 
      1   0.116062D+00  0.190017D+01 -0.528304D+01 -0.145615D+01 -0.146027D+01
      2   0.157797D+01  0.453749D+00 -0.145615D+01  0.617474D+00 -0.114374D+01
      3   0.453749D+00 -0.760601D+01 -0.146027D+01 -0.114374D+01  0.119245D+00
                76            77            78            79            80 
      1   0.658688D+00 -0.135866D+01 -0.609960D+00 -0.166326D+01  0.321619D+00
      2  -0.135866D+01 -0.512510D+01 -0.134923D+01  0.321619D+00 -0.119313D+01
      3  -0.609960D+00 -0.134923D+01  0.161382D+00 -0.178834D+01 -0.208128D+01
                81            82            83            84            85 
      1  -0.178834D+01  0.334087D+01  0.106232D+01  0.840498D-01  0.181015D+01
      2  -0.208128D+01  0.106232D+01 -0.783615D+00 -0.593403D+00  0.311615D+01
      3  -0.250588D+00  0.840498D-01 -0.593403D+00 -0.296968D-01 -0.142876D+01
                86            87            88            89            90 
      1   0.311615D+01 -0.142876D+01 -0.127764D+01 -0.311338D+01  0.229132D+01
      2   0.915332D+01  0.233669D+00 -0.311338D+01 -0.140662D+01  0.606336D+01
      3   0.233669D+00  0.236192D+01  0.229132D+01  0.606336D+01 -0.521626D+01
                91            92            93            94            95 
      1   0.715031D+01  0.450629D+01 -0.348387D+00  0.453670D+01  0.454547D+01
      2   0.450629D+01  0.340649D+01 -0.195025D+00  0.454547D+01  0.534169D+01
      3  -0.348387D+00 -0.195025D+00  0.640600D+00 -0.507365D+00 -0.489858D+00
                96            97            98            99           100 
      1  -0.507365D+00 -0.250164D+00 -0.369433D+00  0.774294D-01  0.132028D+02
      2  -0.489858D+00 -0.369433D+00 -0.544675D+00  0.136082D+00 -0.252746D+01
      3   0.671595D+00  0.774294D-01  0.136082D+00 -0.828760D-01  0.103450D+01
               101           102           103           104           105 
      1  -0.252746D+01  0.103450D+01 -0.263885D+01  0.217380D+01 -0.422511D+00
      2   0.121961D+01 -0.180321D+00  0.217380D+01 -0.112893D+01  0.236581D+00
      3  -0.180321D+00  0.939735D+00 -0.422511D+00  0.236581D+00 -0.297131D+00
               106           107           108           109           110 
      1   0.111503D+01 -0.484878D+00  0.170024D+00 -0.103431D+01  0.153336D+01
      2  -0.484878D+00  0.133786D+00 -0.834076D-01  0.153336D+01 -0.995370D+00
      3   0.170024D+00 -0.834076D-01  0.129335D+00 -0.105798D+00  0.149722D+00
               111           112           113           114           115 
      1  -0.105798D+00  0.139474D+01 -0.106673D+01  0.821716D-01 -0.259530D+00
      2   0.149722D+00 -0.106673D+01  0.898480D+01 -0.138910D+01  0.261222D+00
      3  -0.807492D-01  0.821716D-01 -0.138910D+01  0.967447D+00  0.612702D-01
               116           117           118           119           120 
      1   0.261222D+00  0.612702D-01  0.149667D+01 -0.202258D+01  0.300415D+00
      2  -0.153997D+01  0.305963D+00 -0.202258D+01  0.224772D+01 -0.349867D+00
      3   0.305963D+00 -0.296712D+00  0.300415D+00 -0.349867D+00  0.364164D+00
               121           122           123           124           125 
      1  -0.203611D+01  0.302469D+01 -0.432034D+00  0.480004D+00 -0.454639D+00
      2   0.302469D+01 -0.992175D+01  0.127535D+01 -0.454639D+00  0.139223D+01
      3  -0.432034D+00  0.127535D+01 -0.982437D+00  0.201526D+00 -0.379225D+00
               126           127           128           129           130 
      1   0.201526D+00 -0.250744D+01  0.365054D+00 -0.190215D+01  0.908868D+00
      2  -0.379225D+00  0.365054D+00 -0.759743D+00  0.336946D+00 -0.180769D+01
      3   0.236655D+00 -0.190215D+01  0.336946D+00 -0.168266D+01  0.463488D+00
               131           132           133           134           135 
      1  -0.180769D+01  0.463488D+00 -0.521081D+01  0.146630D+01 -0.341919D+01
      2   0.148725D+01 -0.102304D+01  0.146630D+01 -0.161371D+01  0.148481D+01
      3  -0.102304D+01  0.851084D+00 -0.341919D+01  0.148481D+01 -0.884961D+01
               136           137           138           139           140 
      1   0.829921D+01 -0.344299D+01  0.932828D+00 -0.388265D+00 -0.361781D+01
      2  -0.344299D+01 -0.216254D+01  0.850925D-01 -0.361781D+01  0.417945D+00
      3   0.932828D+00  0.850925D-01 -0.172583D+01  0.499100D-01  0.283440D+01
               141           142           143           144           145 
      1   0.499100D-01  0.168808D+01 -0.867509D+00 -0.143731D+01 -0.121112D+02
      2   0.283440D+01 -0.867509D+00  0.380900D+01 -0.224947D+00  0.620423D+00
      3   0.163956D+00 -0.143731D+01 -0.224947D+00 -0.560070D+01 -0.143377D+01
               146           147           148           149           150 
      1   0.620423D+00 -0.143377D+01  0.170353D+01 -0.135040D+01  0.102193D+00
      2  -0.104395D+01  0.393397D-02 -0.135040D+01  0.403281D+00 -0.412183D+00
      3   0.393397D-02 -0.110834D+01  0.102193D+00 -0.412183D+00 -0.632401D-03
               151           152           153           154           155 
      1  -0.294691D+01  0.171664D+00 -0.177905D+01 -0.121206D+01  0.627164D-01
      2   0.171664D+00 -0.742753D+00  0.231586D-01  0.627164D-01  0.364847D+00
      3  -0.177905D+01  0.231586D-01 -0.352848D+00  0.107349D+01  0.393342D-01
               156           157           158           159           160 
      1   0.107349D+01  0.179635D+00 -0.283079D+00 -0.761999D-01  0.207970D+01
      2   0.393342D-01 -0.283079D+00 -0.190645D+00  0.104935D+01 -0.637970D-01
      3   0.129710D+00 -0.761999D-01  0.104935D+01 -0.306268D+00 -0.275901D+01
               161           162           163           164           165 
      1  -0.637970D-01 -0.275901D+01  0.783088D+00 -0.757304D+00 -0.627632D+00
      2   0.158998D+01 -0.185547D+00 -0.757304D+00  0.237224D+01  0.589591D+00
      3  -0.185547D+00  0.782014D+01 -0.627632D+00  0.589591D+00  0.254774D+00
               166           167           168           169           170 
      1  -0.163139D+01 -0.658368D+00  0.194497D+00 -0.916917D+00  0.187941D+00
      2  -0.658368D+00 -0.976291D+01 -0.237810D+01  0.187941D+00 -0.382589D+01
      3   0.194497D+00 -0.237810D+01 -0.166714D+01 -0.225976D+00 -0.286548D+01
               171           172           173           174           175 
      1  -0.225976D+00 -0.155170D+01 -0.109676D+01  0.141163D+01 -0.850287D+00
      2  -0.286548D+01 -0.109676D+01 -0.347500D+00  0.505701D+00 -0.140343D+01
      3  -0.141814D+01  0.141163D+01  0.505701D+00 -0.905150D+00  0.626238D+00
               176           177           178           179           180 
      1  -0.140343D+01  0.626238D+00  0.318351D+01  0.210526D+01 -0.164413D+01
      2  -0.459093D+01  0.226915D+01  0.210526D+01  0.496344D+01 -0.500068D+01
      3   0.226915D+01 -0.176000D+01 -0.164413D+01 -0.500068D+01  0.716363D+01
               181           182           183           184           185 
      1  -0.205913D+00  0.314486D+00  0.766123D+00 -0.350174D+00  0.429365D+00
      2   0.314486D+00  0.734803D+00  0.238222D+00  0.429365D+00  0.183129D+00
      3   0.766123D+00  0.238222D+00  0.127548D+01  0.639056D-01  0.532288D+00
               186           187           188           189           190 
      1   0.639056D-01  0.125069D+01 -0.411172D+00 -0.146912D+00 -0.113256D+02
      2   0.532288D+00 -0.411172D+00  0.168128D+01  0.150669D+01  0.436576D+01
      3  -0.115672D+00 -0.146912D+00  0.150669D+01  0.735145D+01  0.846141D-02
               191           192           193           194           195 
      1   0.436576D+01  0.846141D-02  0.192283D+01 -0.160107D+01  0.320905D-01
      2  -0.302881D+01 -0.232464D+00 -0.160107D+01  0.143174D+01 -0.312826D+00
      3  -0.232464D+00 -0.104969D+01  0.320905D-01 -0.312826D+00  0.162721D+00
               196           197           198           199           200 
      1  -0.118609D+01  0.419438D+00 -0.109594D+01  0.707741D+00  0.112189D+01
      2   0.419438D+00 -0.862701D+00  0.542140D+00  0.112189D+01  0.248399D+01
      3  -0.109594D+01  0.542140D+00  0.188070D+00 -0.597458D+00 -0.221701D+00
               201           202           203           204           205 
      1  -0.597458D+00  0.142655D+01  0.106880D+01 -0.344634D+00 -0.109899D+01
      2  -0.221701D+00  0.106880D+01  0.703275D+01 -0.136279D+01  0.648640D-01
      3   0.789426D+00 -0.344634D+00 -0.136279D+01  0.111585D+01  0.475538D+00
               206           207 
      1   0.648640D-01  0.475538D+00
      2  -0.241726D+01  0.125896D+01
      3   0.125896D+01 -0.516545D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.966327D+00  0.274684D-01 -0.283981D+01 -0.170187D+01  0.200806D+00
      2  -0.105209D+01 -0.179882D+01  0.379653D+01  0.139963D+01  0.192445D+01
      3  -0.534427D+01 -0.128860D+02  0.123040D+01  0.754458D+01 -0.468569D+00
                 6             7             8             9            10 
      1  -0.485328D+00 -0.840050D+01  0.571881D+01 -0.117143D+01 -0.134778D+00
      2   0.471217D+01  0.297713D-02  0.115818D+02 -0.220234D+01  0.996705D+00
      3  -0.843928D+00 -0.235614D+01 -0.319334D+01 -0.460371D+01  0.361200D+01
                11            12            13            14            15 
      1  -0.273299D+00  0.100101D+01  0.463633D+00  0.249606D+01  0.872151D+00
      2  -0.332729D+00  0.631959D+01  0.307256D+01 -0.106837D+01 -0.206942D+01
      3  -0.993505D+01  0.583482D+00  0.121220D+02 -0.387663D-01  0.123088D+01
                16            17            18            19            20 
      1   0.414740D+01  0.113316D+02 -0.168365D+01 -0.406597D-01 -0.148389D+00
      2   0.917086D+01 -0.523682D+01  0.288931D+01  0.218834D+01 -0.201741D+01
      3  -0.292140D+01  0.843584D+00  0.197696D+01  0.720933D+01 -0.581847D+01
                21            22            23            24            25 
      1   0.224862D+01  0.900739D+00  0.992117D-01 -0.270811D+01  0.287056D+01
      2  -0.997882D+00 -0.161279D+01  0.400610D-01  0.275128D+01 -0.145050D+02
      3   0.171285D+01  0.450122D+01 -0.793874D+01 -0.650581D+00  0.377963D+01
                26            27            28            29            30 
      1   0.283826D+00  0.103776D+01 -0.383636D+00 -0.265860D+00  0.997861D+00
      2   0.477947D+01 -0.296070D+01  0.118520D+01  0.165110D+01 -0.206106D+01
      3  -0.118920D+01 -0.748595D+01 -0.334840D+01  0.137511D+02 -0.210258D+01
                31            32            33            34            35 
      1  -0.173784D+01  0.193414D+01 -0.493366D+00  0.267500D+01  0.106729D+02
      2   0.782635D+00 -0.120720D+01  0.423535D+00 -0.145033D+02  0.122892D+01
      3   0.133792D+02 -0.121818D+02  0.285217D+01  0.565295D+00  0.212420D+01
                36            37            38            39            40 
      1  -0.281887D+00  0.141386D+01  0.365507D+00 -0.461369D+00 -0.167878D+00
      2  -0.561436D+00 -0.149094D+00 -0.479553D+00 -0.824139D+00 -0.307320D+01
      3  -0.269694D+01 -0.681650D+01  0.492925D+01 -0.602000D+00  0.106904D+02
                41            42            43            44            45 
      1   0.210109D+01 -0.975711D+00 -0.366162D+01  0.733744D+01 -0.857643D+00
      2   0.205965D+01 -0.112469D+01 -0.145016D+02 -0.356452D-01 -0.399794D+00
      3   0.220933D+02 -0.287008D+01 -0.160201D+01 -0.702781D+00  0.421287D+01
                46            47            48            49            50 
      1  -0.142625D+01  0.248100D+00 -0.924640D+00 -0.299489D+00 -0.133489D+00
      2  -0.136948D+00 -0.557740D+00  0.619039D-01 -0.171854D+01 -0.142236D+01
      3  -0.133254D+00 -0.137591D+02  0.126611D+01 -0.476482D+00  0.419408D+01
                51            52            53            54            55 
      1  -0.208826D+01  0.261373D+01  0.154306D+01  0.396700D+00  0.825310D+00
      2  -0.394685D+01 -0.102199D+02 -0.101801D+02  0.288421D+01  0.281913D+00
      3   0.909521D+00  0.157919D+01  0.134704D+01  0.719318D+01  0.414692D+01
                56            57            58            59            60 
      1   0.626381D+00 -0.236049D+01 -0.208886D+01  0.413664D+01 -0.497404D+00
      2  -0.608641D+00  0.856338D+00  0.279014D+00  0.417496D+01  0.731714D+00
      3  -0.217511D+01 -0.580024D+00  0.143940D+02  0.451723D+01 -0.523103D+01
                61            62            63            64            65 
      1  -0.466625D+01  0.776371D+01 -0.547360D+01 -0.487826D+00  0.271419D+00
      2  -0.883389D+01  0.129304D+01 -0.114814D+02 -0.930611D+01  0.117281D+01
      3   0.277606D+01 -0.722673D+01  0.143963D+01 -0.841055D+01 -0.967145D+01
                66            67            68            69            70 
      1  -0.127917D+00  0.156023D+01 -0.142889D+01  0.121983D+01  0.121312D+01
      2   0.759165D+00 -0.978041D+00 -0.286231D+01  0.185166D+01 -0.897765D+01
      3  -0.217098D+00 -0.919807D+01  0.609242D+01  0.429923D+01 -0.136595D+01
                71            72            73            74            75 
      1   0.186927D+01  0.156543D+00 -0.235262D+01 -0.245572D+00  0.136596D+01
      2  -0.252966D+01  0.188167D+02  0.701563D-01  0.517541D+00  0.590700D+01
      3   0.338382D+01  0.509041D+00  0.130032D+02 -0.351279D+01  0.205109D+01
                76            77            78            79            80 
      1   0.602977D+00 -0.479856D+00 -0.632863D+01 -0.448232D+01  0.194001D+01
      2   0.939481D+00  0.273416D+01 -0.195663D+01 -0.372178D+01  0.388146D+01
      3   0.793755D+01 -0.130923D+02 -0.468150D+01  0.522732D+01 -0.676045D+01
                81            82            83            84            85 
      1  -0.196691D+01  0.710210D+00 -0.550222D+01 -0.188610D+01 -0.326327D+01
      2   0.155242D+01  0.332059D+01 -0.956718D+00 -0.168216D+01  0.607984D+00
      3  -0.717950D-01 -0.883609D+01 -0.272810D+01 -0.640405D+00  0.683885D+01
                86            87            88            89            90 
      1   0.516929D+01  0.571029D+01  0.860600D+01  0.200069D+02 -0.124443D+02
      2  -0.129975D+01  0.118386D+01 -0.416435D+01 -0.234855D+01  0.459187D+00
      3  -0.311239D+01  0.563086D+01  0.129945D+01  0.112335D+02 -0.119050D+01
                91            92            93            94            95 
      1  -0.967229D-01 -0.299003D+00 -0.234200D+01  0.309640D+00  0.251580D-02
      2   0.323342D+00  0.279878D+00  0.363237D+01 -0.655284D+00 -0.675339D+00
      3  -0.244842D+01 -0.583276D+01  0.374629D-01 -0.519829D+01 -0.104279D+02
                96            97            98            99           100 
      1  -0.265273D+01  0.111983D+01  0.106873D+01  0.209927D+00  0.229567D+00
      2   0.331909D+01 -0.121101D+01 -0.886599D+00 -0.202667D+00  0.160802D+01
      3   0.636135D+00  0.129819D+01  0.160362D+01 -0.820884D-01  0.261802D+01
               101           102           103           104           105 
      1   0.371768D+00  0.115012D+01  0.518156D-01 -0.104107D+00 -0.627524D+00
      2  -0.257741D+00  0.608104D+01 -0.117321D+01  0.586694D+00 -0.170591D+01
      3  -0.578417D+01  0.129856D+00 -0.510311D+01  0.318974D+01 -0.537072D+00
               106           107           108           109           110 
      1  -0.680325D+00  0.322109D+00  0.669988D-01 -0.543970D+00  0.371206D+00
      2  -0.205216D+01  0.453776D+00  0.440458D+00 -0.804815D+00  0.854879D+00
      3   0.157101D+01 -0.847044D+00  0.227563D+00 -0.677034D+01  0.547398D+01
               111           112           113           114           115 
      1   0.623122D+00  0.635491D+00 -0.959468D+00 -0.413114D+01 -0.576207D+00
      2  -0.144285D-01  0.120768D+01 -0.203000D+01  0.599170D+00 -0.111585D+01
      3  -0.240108D+00  0.865387D+01 -0.158304D+02  0.188171D+01 -0.691138D+00
               116           117           118           119           120 
      1   0.205527D+01  0.491300D+00  0.726878D-01 -0.416942D-01  0.123983D+01
      2   0.282558D+00  0.174621D+00  0.409976D+00 -0.413130D+00  0.104859D+01
      3   0.292246D+01  0.219493D-01  0.171649D+01 -0.163451D+01  0.342045D+00
               121           122           123           124           125 
      1  -0.303823D-01 -0.313815D+00 -0.438582D+01 -0.121744D+00  0.164131D+01
      2  -0.182830D+00  0.238726D+01 -0.270423D+01 -0.881933D+00  0.261818D+00
      3   0.467128D+00  0.172457D+02 -0.216238D+01  0.430546D+00 -0.237382D+01
               126           127           128           129           130 
      1   0.506365D+00  0.212074D+01  0.833615D+00  0.129488D+01  0.986535D+00
      2   0.218876D+00  0.747773D+00 -0.789158D+00  0.275663D+01 -0.105273D+01
      3  -0.105354D+00 -0.229573D+01 -0.330146D+01 -0.141926D+01 -0.203555D+01
               131           132           133           134           135 
      1  -0.370080D+00 -0.157966D+01  0.220892D+01  0.976880D+00  0.747090D+01
      2   0.405106D+00 -0.124266D+01  0.824773D+00 -0.104105D+01  0.119296D+02
      3   0.888577D+00 -0.137271D+01 -0.364842D+01 -0.403584D+00 -0.475053D+00
               136           137           138           139           140 
      1  -0.432203D+01 -0.143525D+01  0.474725D+01  0.796789D+00 -0.115257D+02
      2  -0.541166D+01  0.246347D+01  0.472701D+01  0.210780D+01 -0.458623D+01
      3   0.156821D+02 -0.192499D+02  0.301254D+01 -0.108991D+02 -0.987192D+01
               141           142           143           144           145 
      1  -0.182774D+01  0.226502D+01  0.450716D+01  0.136687D+02 -0.137192D+00
      2  -0.404610D+00  0.247222D+00  0.130829D+01  0.112521D+02  0.501177D+01
      3   0.730865D+01  0.260095D+01  0.681768D+01 -0.455452D+01  0.480795D+01
               146           147           148           149           150 
      1   0.311957D+00 -0.639924D-03 -0.121676D+00 -0.139825D+00 -0.702156D+00
      2  -0.754292D-01  0.603692D+01 -0.489702D+00  0.113092D+01 -0.465279D+00
      3  -0.719497D+01  0.508834D+00 -0.245862D+01  0.221909D+01 -0.135211D+01
               151           152           153           154           155 
      1  -0.466622D+00  0.878898D+00 -0.183438D+00 -0.517799D-02  0.508460D+00
      2   0.388293D+01 -0.618813D-01  0.142461D+01 -0.205564D+01  0.135521D+00
      3   0.734683D+00 -0.336748D+01  0.358221D+00  0.142256D+01  0.122523D+01
               156           157           158           159           160 
      1   0.861822D-01 -0.428867D-01  0.294169D+00 -0.785241D+00 -0.772833D+00
      2   0.457646D+00  0.104480D+01 -0.283021D+01  0.564405D+00  0.237164D+01
      3  -0.361391D+00  0.196228D+01 -0.254762D+00  0.266382D+01 -0.942831D+00
               161           162           163           164           165 
      1   0.461001D+01  0.128910D+01 -0.127433D+01  0.191659D+01  0.116511D+01
      2   0.977698D+00 -0.196682D+02 -0.274610D+00 -0.700072D+00  0.867586D+00
      3   0.643032D+01  0.828146D+00 -0.274835D+01  0.965403D+00  0.266131D+01
               166           167           168           169           170 
      1  -0.476839D+00 -0.700308D+01 -0.653002D+01 -0.105934D+01 -0.662262D+01
      2  -0.386918D+00  0.152077D+01  0.419592D+00 -0.633409D+00  0.780016D+00
      3   0.531749D+01 -0.598165D+01 -0.284921D+01  0.380283D+01 -0.423699D+01
               171           172           173           174           175 
      1  -0.444373D+01  0.318587D+01  0.904376D+00 -0.192002D+01  0.175829D+01
      2   0.712809D+00  0.118757D+01  0.682643D+00  0.891069D+00  0.320589D+00
      3  -0.167923D+01  0.467885D+01  0.115547D+01 -0.330350D+01  0.195378D+01
               176           177           178           179           180 
      1   0.315924D+01 -0.509562D+01 -0.419353D+01 -0.877004D+01  0.171762D+02
      2  -0.596579D+00  0.825872D+00 -0.202668D+01  0.136936D+01 -0.225695D+01
      3  -0.102972D+01  0.269572D-01 -0.847974D+01 -0.265315D+01 -0.514600D+00
               181           182           183           184           185 
      1  -0.149765D+01  0.344964D+00 -0.306230D+01  0.709112D-01 -0.168304D+01
      2  -0.234748D+01 -0.339258D+00 -0.186259D+01  0.156212D+00 -0.920528D+00
      3   0.687920D+00  0.180801D+01  0.205353D+01  0.129507D+01  0.103030D+01
               186           187           188           189           190 
      1  -0.473077D+00 -0.320198D+00  0.357604D+00 -0.178964D+02  0.798526D+00
      2   0.138777D+00 -0.354898D+01 -0.238212D+01 -0.137723D+02  0.368874D+01
      3   0.919564D+00  0.272652D+01  0.268538D+01  0.369593D+01 -0.197514D+02
               191           192           193           194           195 
      1  -0.279400D+00  0.326944D+01 -0.428052D+00  0.126634D+01 -0.113927D+01
      2  -0.613969D+00  0.496017D+01 -0.986750D+00  0.107697D+01 -0.756867D+00
      3   0.420611D+00 -0.778787D+00  0.330347D+01 -0.419862D+00 -0.103993D+01
               196           197           198           199           200 
      1   0.200766D+01 -0.336167D+00 -0.445060D+00  0.237975D+01  0.138888D+01
      2   0.124024D+01 -0.758168D+00 -0.251691D+00  0.991078D+00 -0.225950D+00
      3  -0.179212D+01 -0.133118D+01 -0.121181D+01  0.861918D+01  0.729829D+01
               201           202           203           204           205 
      1  -0.326411D+01  0.174925D+01  0.569032D+01 -0.553042D+01 -0.162705D+01
      2  -0.482348D+00  0.391612D+00  0.145788D+01 -0.114396D+01 -0.182106D+01
      3  -0.293452D+01  0.998629D+01  0.178801D+02 -0.429283D+01 -0.459192D+01
               206           207 
      1  -0.270019D+01  0.196768D+01
      2  -0.143935D+01  0.526490D+00
      3  -0.510582D+01  0.420806D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.769912D+00 -0.184069D+02  0.152305D+01  0.295744D+02  0.157807D+01
      2  -0.494744D+01  0.128710D+02  0.872636D+00 -0.276877D+02 -0.677439D+01
      3   0.417753D+01  0.553588D+01 -0.239568D+01 -0.188672D+01  0.519632D+01
      4  -0.204516D+02  0.989982D+01 -0.340705D+01 -0.821123D+00 -0.174447D+02
      5   0.995335D+00 -0.395949D+01  0.839749D+01  0.414645D+01  0.717156D+01
      6  -0.105154D+01 -0.137052D+01  0.644376D+01  0.547173D+01  0.264480D+01
                 6             7             8             9            10 
      1   0.161830D+01 -0.796613D+01 -0.105353D+01  0.874452D+01 -0.818288D+01
      2  -0.172267D+01  0.859700D+01  0.292637D+01 -0.127672D+02  0.430325D+01
      3   0.104368D+00 -0.630867D+00 -0.187284D+01  0.402267D+01  0.387963D+01
      4   0.700420D+01  0.928654D+00  0.790263D+01  0.165168D+02  0.105893D+02
      5   0.100156D+02  0.274104D+02  0.177484D+02 -0.478657D+01 -0.612116D+01
      6   0.239277D+01  0.105278D+02  0.109854D+02  0.187155D+01  0.239517D+00
                11            12            13            14            15 
      1   0.563974D+01 -0.423282D+01 -0.154516D+02 -0.223385D+02  0.532336D+01
      2  -0.267005D+01  0.203170D+01  0.136386D+02  0.209925D+02 -0.599884D+01
      3  -0.296969D+01  0.220113D+01  0.181304D+01  0.134593D+01  0.675474D+00
      4   0.223393D+02 -0.113449D+00 -0.209649D+02  0.114403D+02 -0.439066D+01
      5  -0.484181D+00  0.139564D+02  0.817078D+01 -0.587773D+01 -0.423639D+01
      6  -0.489360D-01 -0.256433D+01 -0.407821D+01 -0.221685D+01 -0.224896D+01
                16            17            18            19            20 
      1  -0.345236D+01  0.725692D+01  0.179133D+02  0.910280D+01  0.604067D+00
      2  -0.873808D+00 -0.583465D+01 -0.208784D+02 -0.649881D+01 -0.424064D+01
      3   0.432617D+01 -0.142228D+01  0.296510D+01 -0.260398D+01  0.363658D+01
      4   0.996625D+01 -0.189538D+01 -0.431903D+01  0.949418D+01 -0.233279D+02
      5   0.378412D+02 -0.681355D+01  0.552311D+01 -0.213642D+01  0.272146D+01
      6  -0.284507D+01  0.446480D+01  0.266478D+01  0.227413D+00 -0.121641D+01
                21            22            23            24            25 
      1   0.113092D+01  0.621149D+01  0.621342D+01 -0.396076D+01 -0.443877D+00
      2  -0.142585D+01  0.164114D+01 -0.119449D+02  0.534545D+01 -0.383797D+00
      3   0.294931D+00 -0.785263D+01  0.573150D+01 -0.138469D+01  0.827674D+00
      4   0.273023D+01  0.175078D+02  0.100786D+02  0.519945D+00 -0.388552D+01
      5  -0.356950D+01 -0.286971D+01  0.700592D+00  0.352453D+01  0.138166D+01
      6  -0.397041D+01 -0.175452D+01  0.814070D+01  0.568099D+01 -0.730370D+00
                26            27            28            29            30 
      1  -0.293215D+01 -0.151234D+02 -0.350013D+02  0.100649D+02 -0.669291D+00
      2   0.782905D+01  0.368858D+01  0.165950D+02 -0.323737D+01  0.514606D+00
      3  -0.489690D+01  0.114349D+02  0.184063D+02 -0.682756D+01  0.154685D+00
      4  -0.958146D+00  0.977234D+01 -0.108400D+02  0.747544D+01 -0.306725D+01
      5   0.100167D+02 -0.617490D+01  0.634311D+01 -0.223323D+01 -0.107236D+01
      6   0.166298D+02 -0.446043D+01 -0.225099D+01  0.468019D+00 -0.157773D+01
                31            32            33            34            35 
      1   0.126887D+02  0.240816D+01 -0.198718D+01 -0.593104D+01 -0.144976D+01
      2  -0.493362D+01  0.245769D+01  0.423197D+00  0.315197D+01  0.302928D+01
      3  -0.775508D+01 -0.486585D+01  0.156399D+01  0.277907D+01 -0.157952D+01
      4  -0.584613D+01  0.429520D+01 -0.221592D+01  0.198023D+01 -0.370585D+01
      5   0.192218D+00 -0.703200D+00 -0.518952D+00  0.930995D+00  0.771717D+00
      6  -0.812969D+00 -0.422002D-01  0.122493D+00 -0.209104D+01  0.355516D+01
                36            37            38            39            40 
      1  -0.106564D+02 -0.130622D+02 -0.271427D+02  0.426508D+01 -0.182595D+02
      2  -0.252775D+01  0.132962D+02  0.199418D+02 -0.341021D+01  0.651197D+01
      3   0.131841D+02 -0.234034D+00  0.720091D+01 -0.854872D+00  0.117475D+02
      4  -0.154173D+01 -0.656572D+01 -0.361811D+00 -0.253271D+00  0.391963D+00
      5   0.901701D-01 -0.201682D+01 -0.213578D+01 -0.536262D+00 -0.434589D+00
      6  -0.450171D+00 -0.319644D+01 -0.278836D+01  0.159708D+01  0.110081D+01
                41            42            43            44            45 
      1  -0.153425D+02 -0.413605D+00  0.224681D+01 -0.352797D+01 -0.136120D+02
      2   0.154766D+02 -0.178488D+01 -0.315220D+01  0.251273D+01  0.260043D+01
      3  -0.134131D+00  0.219848D+01  0.905390D+00  0.101524D+01  0.110115D+02
      4  -0.814950D+01  0.186407D+00  0.116666D+01 -0.280773D+01 -0.497266D+00
      5  -0.900509D+00 -0.495329D+00  0.111206D+01 -0.257596D+01 -0.162890D+01
      6  -0.141868D+01  0.135074D+01  0.296918D+01  0.102588D+02 -0.736392D-01
                46            47            48            49            50 
      1   0.107186D+02  0.206317D+02 -0.571350D+00 -0.225325D+02  0.153359D+02
      2  -0.118623D+02 -0.143841D+02  0.122367D+01  0.188064D+02 -0.229220D+02
      3   0.114377D+01 -0.624765D+01 -0.652325D+00  0.372611D+01  0.758617D+01
      4   0.754785D+01 -0.159238D+02  0.399177D+01  0.100664D+02  0.282095D+01
      5   0.523940D-01  0.551255D+01 -0.147912D+01 -0.568213D+00 -0.305483D+01
      6   0.441849D+01 -0.140557D+01  0.556991D+00 -0.295642D+01  0.754074D+01
                51            52            53            54            55 
      1  -0.266718D+01  0.440336D+01  0.189765D+01 -0.544007D+01  0.224768D+02
      2   0.467201D+01 -0.622627D+01  0.385800D+01 -0.316117D+01 -0.752315D+01
      3  -0.200483D+01  0.182291D+01 -0.575565D+01  0.860124D+01 -0.149536D+02
      4  -0.344202D+01  0.215450D+01 -0.713575D+01 -0.162812D+02 -0.283049D+01
      5  -0.779158D+01  0.959427D+01 -0.165622D+02  0.595584D+01 -0.378724D+01
      6   0.499524D+01 -0.581165D+01  0.144213D+02 -0.176179D+01  0.366902D+01
                56            57            58            59            60 
      1  -0.135921D+02  0.769316D+00 -0.179750D+02 -0.500796D+00  0.345963D+01
      2   0.117811D+02  0.506008D+00  0.166127D+02 -0.224708D+01 -0.710207D+01
      3   0.181101D+01 -0.127532D+01  0.136226D+01  0.274788D+01  0.364244D+01
      4  -0.889842D+01  0.251442D+01 -0.148555D+02  0.108763D+02  0.722515D+01
      5   0.273179D+01 -0.704201D+01  0.274493D+01  0.760153D+01  0.330841D+01
      6   0.185461D+01  0.420920D+01  0.360357D+01 -0.806041D+01 -0.444045D+01
                61            62            63            64            65 
      1   0.124510D+02  0.485677D+00  0.705941D+01 -0.506702D+02  0.980660D+01
      2   0.687948D+01 -0.121674D+02  0.633397D+01  0.282834D+02 -0.714067D+01
      3  -0.193305D+02  0.116817D+02 -0.133934D+02  0.223868D+02 -0.266593D+01
      4   0.128286D+01  0.904267D+01  0.876724D+01  0.107376D+02  0.627630D+01
      5  -0.131773D+02  0.695680D+01 -0.297146D+02 -0.135752D+02  0.759387D+00
      6   0.964359D+01 -0.437031D+01  0.164257D+02 -0.507231D+00 -0.132625D+01
                66            67            68            69            70 
      1  -0.958952D+01  0.196255D+02  0.119498D+02 -0.839006D+00 -0.149271D+02
      2   0.495006D+01 -0.140556D+02 -0.137988D+02  0.391336D+01  0.221558D+01
      3   0.463946D+01 -0.556986D+01  0.184904D+01 -0.307435D+01  0.127116D+02
      4   0.511615D+00 -0.852525D+00 -0.267311D+01 -0.683063D+01 -0.309165D+01
      5  -0.205203D+01 -0.508573D+01 -0.706149D+01  0.529630D+01 -0.113187D+02
      6   0.622921D+00 -0.299626D+01 -0.176228D+01 -0.472067D+01 -0.269778D+01
                71            72            73            74            75 
      1   0.803575D+00 -0.211390D+00  0.249726D+02  0.862969D+01 -0.229199D+00
      2   0.518925D+00  0.135413D+02 -0.135004D+02 -0.469203D+01 -0.158706D+01
      3  -0.132250D+01 -0.133299D+02 -0.114722D+02 -0.393767D+01  0.181626D+01
      4  -0.289081D+01 -0.388735D+01  0.144636D+02  0.145222D+02  0.646437D+01
      5  -0.206955D+01  0.358312D+02  0.772165D+01  0.387427D+01  0.101010D+02
      6  -0.863352D+00  0.289308D+01  0.532278D+01  0.597960D+01 -0.447054D+01
                76            77            78            79            80 
      1  -0.772960D+01 -0.109797D+02 -0.150163D+01  0.107241D+02 -0.328924D+00
      2   0.859895D+01  0.197475D+02  0.564862D+00 -0.713309D+01  0.180137D+01
      3  -0.869346D+00 -0.876784D+01  0.936770D+00 -0.359101D+01 -0.147244D+01
      4   0.145512D+02  0.185270D+02  0.658572D+01  0.706363D+01  0.767263D+01
      5   0.457642D+01  0.565493D+01 -0.390361D+01  0.116927D+02  0.734976D+01
      6   0.793725D+00  0.599972D+01  0.108261D+02  0.706072D+01  0.128978D+02
                81            82            83            84            85 
      1  -0.744366D+01 -0.101840D+02 -0.633919D+01 -0.329407D+01  0.140780D+02
      2  -0.368965D+01  0.620373D+01  0.129212D+02  0.624328D+01 -0.986168D+01
      3   0.111333D+02  0.398023D+01 -0.658196D+01 -0.294921D+01 -0.421635D+01
      4   0.979081D+01 -0.131340D+01 -0.773477D+01 -0.350796D+01  0.290374D+00
      5   0.277921D+01 -0.298776D+00 -0.112181D+01 -0.723815D+01  0.294823D+01
      6   0.381295D+01 -0.137802D+01  0.506166D+01  0.369808D+01  0.765635D+01
                86            87            88            89            90 
      1   0.408513D+02  0.146215D+01 -0.180271D+02 -0.781914D+01  0.291225D+02
      2  -0.450003D+02 -0.930904D+01  0.130066D+02 -0.590921D+01 -0.192703D+02
      3   0.414905D+01  0.784689D+01  0.502058D+01  0.137284D+02 -0.985217D+01
      4   0.305030D+01  0.417785D+01  0.377975D+01  0.553820D+01 -0.878655D+01
      5   0.375096D+01 -0.242947D+01 -0.670303D+01 -0.972971D+01  0.933680D+01
      6  -0.699077D+01 -0.164389D+02 -0.124730D+02 -0.370048D+02  0.280127D+02
                91            92            93            94            95 
      1   0.404357D+02  0.221877D+02 -0.195859D+01  0.173942D+02  0.120499D+02
      2  -0.139198D+02 -0.452756D+01  0.894024D+00  0.169369D+01  0.783528D+01
      3  -0.265159D+02 -0.176602D+02  0.106456D+01 -0.190879D+02 -0.198852D+02
      4   0.449377D+02  0.340235D+02 -0.218472D+01  0.402044D+02  0.428796D+02
      5  -0.360410D+01 -0.200773D+01  0.684221D+01 -0.406816D+01 -0.374453D+01
      6  -0.456819D+00 -0.459422D+00  0.314426D+01 -0.183803D+01 -0.176694D+01
                96            97            98            99           100 
      1  -0.146283D+01 -0.357986D+00 -0.697666D+00  0.352398D+00  0.102422D+03
      2   0.436784D+00 -0.714188D+00 -0.442968D+00  0.542762D+00 -0.580694D+02
      3   0.102605D+01  0.107217D+01  0.114063D+01 -0.895160D+00 -0.443529D+02
      4  -0.370424D+01 -0.306500D+01 -0.383663D+01  0.306170D+01 -0.267600D+02
      5   0.527644D+01  0.231822D+01  0.161734D+01 -0.817823D+00  0.107205D+02
      6   0.459645D+01  0.145967D+01  0.212936D+01 -0.952454D+00  0.249223D+00
               101           102           103           104           105 
      1  -0.184826D+02  0.699586D+01 -0.173887D+02  0.130581D+02 -0.214273D+01
      2   0.951070D+01 -0.470382D+01  0.787640D+01 -0.593695D+01  0.150424D+01
      3   0.897185D+01 -0.229203D+01  0.951234D+01 -0.712115D+01  0.638491D+00
      4   0.133461D+02 -0.174758D+01  0.211512D+02 -0.987537D+01  0.185064D+01
      5  -0.190386D+01  0.106228D+02 -0.383516D+01  0.206368D+01 -0.260206D+01
      6   0.320028D+00 -0.129380D+01  0.108110D+01 -0.387618D+00  0.196352D+01
               106           107           108           109           110 
      1   0.850717D+01 -0.298391D+01  0.334272D+01 -0.447636D+01  0.489773D+01
      2  -0.488520D+01  0.193020D+01 -0.213794D+01  0.595035D+01 -0.462531D+01
      3  -0.362197D+01  0.105371D+01 -0.120478D+01 -0.147399D+01 -0.272418D+00
      4  -0.393062D+01  0.196091D+01 -0.190644D+01 -0.155301D+01  0.708280D+01
      5   0.413066D+01 -0.104794D+01  0.185993D+01 -0.610111D+00 -0.168592D+00
      6  -0.736704D+00  0.104605D+01 -0.502016D+00 -0.911816D+00  0.125477D+01
               111           112           113           114           115 
      1  -0.119577D+01  0.491584D+01 -0.345467D+02  0.583226D+01 -0.647128D+00
      2   0.629631D+00 -0.527167D+01  0.475354D+02 -0.575364D+01  0.656236D+00
      3   0.566134D+00  0.355829D+00 -0.129887D+02 -0.786203D-01 -0.910811D-02
      4  -0.413647D+00  0.545949D+01  0.135054D+02 -0.265310D+01 -0.278911D+00
      5   0.952306D+00 -0.179819D+00 -0.340930D+01  0.178921D+01  0.712193D+00
      6  -0.577631D+00  0.419162D+00 -0.101258D+02  0.769841D+01 -0.899644D-01
               116           117           118           119           120 
      1   0.585264D+01 -0.246223D+01  0.290244D+01 -0.372001D+01  0.431883D+00
      2  -0.708668D+01  0.251049D+01  0.315421D+01 -0.352678D+01  0.459291D-01
      3   0.123404D+01 -0.482579D-01 -0.605666D+01  0.724679D+01 -0.477812D+00
      4  -0.179590D+01 -0.559904D+00 -0.138704D+02  0.186604D+02 -0.266807D+01
      5  -0.505184D-02  0.301411D+00  0.215959D+01 -0.280450D+01  0.304298D+01
      6   0.395232D+01 -0.237352D+01 -0.161452D+01  0.191317D+01 -0.204587D+01
               121           122           123           124           125 
      1   0.665247D+00 -0.201944D+02  0.273043D+01 -0.551903D-01  0.222209D+01
      2  -0.895919D+01  0.406980D+02 -0.367421D+01  0.125888D+01 -0.416474D+01
      3   0.829394D+01 -0.205036D+02  0.943780D+00 -0.120369D+01  0.194265D+01
      4   0.207485D+02 -0.462158D+02  0.586293D+01 -0.372483D+01  0.651484D+01
      5  -0.288100D+01  0.589895D+01 -0.482579D+01  0.146840D+01 -0.170565D+01
      6   0.292437D+01 -0.854722D+01  0.764787D+01 -0.172463D+01  0.439668D+01
               126           127           128           129           130 
      1  -0.232496D+01  0.259392D+01  0.131248D+01  0.262818D+01  0.325760D+01
      2   0.283746D+01 -0.640921D+01 -0.143939D+01 -0.424890D+01 -0.362832D+01
      3  -0.512497D+00  0.381529D+01  0.126915D+00  0.162072D+01  0.370718D+00
      4  -0.208552D+01 -0.288326D+01  0.609687D+01 -0.358596D+01  0.869341D+01
      5   0.992383D+00  0.952054D+01 -0.243826D+01  0.129090D+02 -0.207198D+01
      6  -0.229671D+01 -0.456247D+01  0.762829D+00 -0.318065D+01  0.204961D+01
               131           132           133           134           135 
      1  -0.455990D+01  0.170000D+01 -0.251862D+01  0.457703D+01 -0.155107D+02
      2   0.211906D+01 -0.117224D+01 -0.811551D+01  0.141760D-01 -0.169516D+02
      3   0.244084D+01 -0.527759D+00  0.106341D+02 -0.459121D+01  0.324623D+02
      4  -0.679008D+01  0.390070D+01 -0.777373D+01  0.644107D+01 -0.662427D+01
      5   0.371466D+01 -0.297158D+01  0.185941D+02 -0.647283D+01  0.319952D+02
      6  -0.251700D+01  0.862785D+01 -0.842145D+01  0.743944D+01 -0.195647D+02
               136           137           138           139           140 
      1  -0.329602D+02  0.278755D+02 -0.150953D+01  0.245585D+02  0.796397D+01
      2   0.646437D+01 -0.255246D+02  0.574757D+01 -0.251996D+02 -0.123317D+02
      3   0.264958D+02 -0.235092D+01 -0.423804D+01  0.641168D+00  0.436772D+01
      4   0.411438D+02 -0.872275D+01  0.200759D+01  0.425179D+01 -0.130988D+02
      5  -0.711391D-01 -0.223272D+01  0.606675D+01 -0.982032D+00 -0.112021D+02
      6   0.467918D+01 -0.503874D-01 -0.778766D+01 -0.238068D+01  0.181625D+02
               141           142           143           144           145 
      1  -0.104187D+02 -0.355898D+01 -0.934731D+01  0.138790D+02  0.808366D+02
      2   0.162362D+02  0.492749D+00  0.200417D+02  0.325110D+01 -0.462368D+02
      3  -0.581745D+01  0.306623D+01 -0.106944D+02 -0.171301D+02 -0.345998D+02
      4  -0.746436D+01  0.727032D+01 -0.117575D+02 -0.790790D+01 -0.266564D+00
      5  -0.374224D+00  0.669041D+01 -0.104109D+01  0.162576D+02  0.111729D+02
      6   0.299731D+01 -0.774644D+01  0.108335D+01 -0.229699D+02  0.853516D+00
               146           147           148           149           150 
      1  -0.460678D+01  0.949606D+01 -0.103515D+02  0.701394D+01 -0.512292D+00
      2   0.313126D+01 -0.542862D+01  0.618928D+01 -0.241085D+01  0.850881D+00
      3   0.147552D+01 -0.406744D+01  0.416224D+01 -0.460310D+01 -0.338589D+00
      4   0.914561D+01  0.156215D+00  0.119484D+02 -0.254709D+01  0.248520D+01
      5  -0.229454D+00  0.997109D+01 -0.814746D+00  0.281294D+01 -0.688279D+00
      6   0.490808D+00  0.268363D+00  0.600317D+00  0.278463D+00  0.146589D+01
               151           152           153           154           155 
      1   0.157508D+02 -0.994845D+00  0.869879D+01  0.792205D+01 -0.314662D+00
      2  -0.101123D+02  0.871370D+00 -0.753523D+01 -0.677029D+01  0.139328D+00
      3  -0.563853D+01  0.123475D+00 -0.116356D+01 -0.115175D+01  0.175335D+00
      4  -0.546316D+00  0.393214D+01  0.193598D+00  0.623093D+00 -0.665001D+00
      5   0.144908D+02 -0.444513D+00  0.431903D+01 -0.605384D+01 -0.339947D+00
      6   0.508081D+00  0.947224D+00 -0.138068D+00 -0.958542D+00 -0.818662D-01
               156           157           158           159           160 
      1  -0.514876D+01 -0.144269D+00 -0.329211D+01  0.167386D+01 -0.775846D+01
      2   0.327951D+01  0.464067D+00  0.671793D+00 -0.778663D+00  0.113328D+02
      3   0.186925D+01 -0.319798D+00  0.262032D+01 -0.895196D+00 -0.357438D+01
      4  -0.116007D+01  0.302305D+01  0.108126D+01 -0.492359D+01 -0.118880D+01
      5   0.449139D+01  0.227030D-01 -0.483315D+01  0.112778D+01  0.182092D+02
      6   0.183408D+00 -0.152702D+01 -0.140047D+01  0.724176D+01  0.220859D+01
               161           162           163           164           165 
      1   0.649447D+00 -0.427995D+01 -0.141481D+01  0.975128D+01  0.366649D+01
      2  -0.109316D+01 -0.203981D+02  0.411718D+01 -0.138386D+02 -0.353696D+01
      3   0.443717D+00  0.246780D+02 -0.270237D+01  0.408735D+01 -0.129535D+00
      4  -0.773783D+01  0.279365D+01 -0.253470D+01  0.914154D+01  0.331969D+01
      5   0.111281D+01 -0.384078D+02 -0.125702D+00  0.135061D+01  0.234642D+01
      6   0.409561D+01 -0.587122D+01  0.412602D+01 -0.443592D+01 -0.204908D+01
               166           167           168           169           170 
      1  -0.109811D+01 -0.411892D+02 -0.102285D+02  0.220266D+01 -0.168768D+02
      2   0.117445D+01  0.599668D+02  0.149558D+02 -0.765162D+00  0.228417D+02
      3  -0.763316D-01 -0.187776D+02 -0.472723D+01 -0.143750D+01 -0.596487D+01
      4   0.639190D+01  0.180822D+01 -0.291467D+00  0.372431D+01  0.212722D+00
      5   0.753613D+00  0.105129D+01  0.130070D+01  0.244609D+01  0.231644D+01
      6  -0.250309D+00  0.189159D+02  0.126959D+02  0.205262D+01  0.206123D+02
               171           172           173           174           175 
      1  -0.133469D+02 -0.313735D+00  0.124425D+00  0.402868D+00 -0.382374D+01
      2   0.128773D+02 -0.124021D+01 -0.597837D+00  0.549541D+00  0.451419D+01
      3   0.469660D+00  0.155394D+01  0.473412D+00 -0.952409D+00 -0.690445D+00
      4   0.721409D+00  0.531665D+01  0.718772D+01 -0.577080D+01  0.419511D+01
      5  -0.242561D+00 -0.420139D+01 -0.379186D+01  0.792237D+01 -0.200227D+01
      6   0.101220D+02 -0.731432D+01 -0.349125D+01  0.424129D+01 -0.409519D+01
               176           177           178           179           180 
      1  -0.204293D+02  0.962913D+01  0.562072D+01  0.236124D+02 -0.284468D+02
      2   0.216682D+02 -0.882697D+01 -0.313835D+01 -0.153566D+02  0.903227D+01
      3  -0.123887D+01 -0.802163D+00 -0.248237D+01 -0.825581D+01  0.194145D+02
      4   0.623463D+01 -0.437422D+01 -0.969270D+01 -0.814675D+01  0.799170D+01
      5  -0.446070D+01  0.322271D+01  0.812227D+01  0.947297D+01 -0.120858D+02
      6  -0.150325D+02  0.147436D+02  0.960320D+01  0.318530D+02 -0.389405D+02
               181           182           183           184           185 
      1   0.962113D+00 -0.507119D+01 -0.551205D+01 -0.173091D+01 -0.440847D+01
      2  -0.168648D+01  0.509900D+01  0.421546D+00  0.152994D+01  0.291253D+01
      3   0.724366D+00 -0.278081D-01  0.509051D+01  0.200969D+00  0.149594D+01
      4  -0.192469D+01  0.741737D+00  0.320188D+01 -0.588600D-01  0.149898D+01
      5  -0.144392D+01  0.498353D+00  0.847352D+00 -0.390719D+00 -0.893307D+00
      6   0.290913D+01  0.194419D+01  0.575917D+01  0.227195D+00  0.232553D+01
               186           187           188           189           190 
      1  -0.170161D+01 -0.380904D+01 -0.658091D+01 -0.200811D+02  0.525728D+02
      2   0.316393D+01  0.795412D+00  0.564855D+01 -0.790329D+01 -0.165347D+02
      3  -0.146232D+01  0.301363D+01  0.932356D+00  0.279844D+02 -0.360381D+02
      4  -0.130129D+01  0.681098D+01 -0.591703D+01  0.981646D-01 -0.568828D+02
      5   0.576565D+00  0.515736D+01 -0.470640D+01 -0.214955D+02 -0.512081D+01
      6   0.479372D+01 -0.610827D+00  0.112240D+02  0.333178D+02  0.557180D+00
               191           192           193           194           195 
      1  -0.125583D+02  0.171628D+01 -0.548420D+01  0.339364D+01  0.817207D+00
      2  -0.321622D+01 -0.601141D+00 -0.350174D+01  0.553719D+01 -0.170001D+01
      3   0.157745D+02 -0.111514D+01  0.898593D+01 -0.893083D+01  0.882808D+00
      4   0.307398D+02 -0.149493D-01  0.179930D+02 -0.129118D+02  0.984579D+00
      5   0.231648D+01  0.854078D+01  0.781662D+00  0.558527D+00 -0.140138D+01
      6  -0.205346D+01 -0.611486D+01 -0.781189D+00 -0.926186D+00  0.191341D+01
               196           197           198           199           200 
      1   0.340299D+01  0.108463D+01  0.329134D+01 -0.248671D+01 -0.147548D+02
      2  -0.113557D+01 -0.345999D+01 -0.250799D+01  0.686328D+01  0.199974D+02
      3  -0.226742D+01  0.237536D+01 -0.783346D+00 -0.437657D+01 -0.524265D+01
      4  -0.445767D+01  0.351022D+01 -0.525674D+01  0.122537D+01  0.186745D+01
      5   0.928156D+01 -0.369519D+01 -0.687035D-01  0.142572D+01  0.126817D+01
      6  -0.552627D+01  0.357826D+01  0.969402D+00 -0.304875D+01 -0.132133D+01
               201           202           203           204           205 
      1   0.214514D+01 -0.926817D+01 -0.326428D+02  0.680198D+01  0.351338D+01
      2  -0.359724D+01  0.103841D+02  0.529645D+02 -0.106679D+02 -0.238134D+01
      3   0.145211D+01 -0.111595D+01 -0.203218D+02  0.386590D+01 -0.113203D+01
      4  -0.182133D+01  0.648327D+01 -0.109881D+02  0.175329D+01 -0.449240D+01
      5  -0.155226D+01  0.184711D+01  0.516120D+01 -0.319960D+01 -0.433194D+00
      6   0.490803D+01 -0.151202D+01 -0.763167D+01  0.856349D+01  0.287424D+01
               206           207 
      1   0.936302D+01 -0.844351D+01
      2  -0.150957D+02  0.753402D+01
      3   0.573270D+01  0.909488D+00
      4   0.585728D+01 -0.535300D-01
      5  -0.309084D+01  0.112635D+01
      6   0.957985D+01 -0.455319D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:42:59 2021, MaxMem=  5637144576 cpu:           14361.3 elap:            1813.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.14629 -10.23832 -10.23311 -10.19715 -10.19694
 Alpha  occ. eigenvalues --  -10.19572 -10.19039 -10.18979 -10.18918 -10.18857
 Alpha  occ. eigenvalues --  -10.18502  -1.03534  -0.86130  -0.80411  -0.76704
 Alpha  occ. eigenvalues --   -0.73608  -0.69950  -0.64845  -0.62736  -0.59457
 Alpha  occ. eigenvalues --   -0.55851  -0.52217  -0.50419  -0.48130  -0.47388
 Alpha  occ. eigenvalues --   -0.44846  -0.44489  -0.42901  -0.42231  -0.40077
 Alpha  occ. eigenvalues --   -0.38919  -0.38059  -0.37805  -0.36776  -0.35116
 Alpha  occ. eigenvalues --   -0.33382  -0.31737  -0.26683  -0.25353  -0.24879
 Alpha virt. eigenvalues --   -0.02003  -0.01417   0.01930   0.02993   0.03541
 Alpha virt. eigenvalues --    0.04999   0.05607   0.05940   0.06794   0.08035
 Alpha virt. eigenvalues --    0.08584   0.09051   0.10484   0.10920   0.11790
 Alpha virt. eigenvalues --    0.12473   0.12785   0.13902   0.14597   0.15141
 Alpha virt. eigenvalues --    0.15395   0.15966   0.16739   0.17161   0.17550
 Alpha virt. eigenvalues --    0.18608   0.19179   0.19534   0.20552   0.21528
 Alpha virt. eigenvalues --    0.21977   0.22700   0.23639   0.23901   0.25081
 Alpha virt. eigenvalues --    0.25954   0.26437   0.26476   0.27300   0.28364
 Alpha virt. eigenvalues --    0.28922   0.29285   0.29762   0.30176   0.30536
 Alpha virt. eigenvalues --    0.31331   0.31609   0.32061   0.32434   0.32764
 Alpha virt. eigenvalues --    0.33510   0.34061   0.34594   0.35248   0.35298
 Alpha virt. eigenvalues --    0.35753   0.36074   0.36748   0.37055   0.37469
 Alpha virt. eigenvalues --    0.38118   0.38653   0.39059   0.39224   0.39393
 Alpha virt. eigenvalues --    0.40374   0.40598   0.40869   0.41733   0.42133
 Alpha virt. eigenvalues --    0.42610   0.43130   0.43507   0.43601   0.44266
 Alpha virt. eigenvalues --    0.44971   0.45121   0.45405   0.46676   0.47094
 Alpha virt. eigenvalues --    0.47438   0.47511   0.48477   0.49094   0.50350
 Alpha virt. eigenvalues --    0.50620   0.51369   0.51972   0.52473   0.53247
 Alpha virt. eigenvalues --    0.53761   0.54653   0.55166   0.55991   0.56634
 Alpha virt. eigenvalues --    0.57168   0.58027   0.58653   0.59145   0.59792
 Alpha virt. eigenvalues --    0.60286   0.60833   0.61837   0.62451   0.63092
 Alpha virt. eigenvalues --    0.64118   0.64984   0.65211   0.65610   0.66992
 Alpha virt. eigenvalues --    0.68234   0.68669   0.69949   0.70148   0.70979
 Alpha virt. eigenvalues --    0.72284   0.73127   0.73362   0.75058   0.76096
 Alpha virt. eigenvalues --    0.76299   0.77783   0.79389   0.80222   0.81308
 Alpha virt. eigenvalues --    0.84304   0.84535   0.85803   0.86666   0.86877
 Alpha virt. eigenvalues --    0.88511   0.89994   0.91454   0.92711   0.93123
 Alpha virt. eigenvalues --    0.94243   0.95461   0.96581   0.97123   0.97616
 Alpha virt. eigenvalues --    0.98482   0.99027   1.00418   1.01252   1.01702
 Alpha virt. eigenvalues --    1.02529   1.03742   1.05795   1.06881   1.07770
 Alpha virt. eigenvalues --    1.08992   1.09838   1.10763   1.13207   1.13908
 Alpha virt. eigenvalues --    1.15031   1.16462   1.17611   1.19588   1.20270
 Alpha virt. eigenvalues --    1.22395   1.23153   1.24754   1.25933   1.27466
 Alpha virt. eigenvalues --    1.28226   1.29475   1.30018   1.30743   1.32824
 Alpha virt. eigenvalues --    1.35267   1.36511   1.38747   1.39287   1.40951
 Alpha virt. eigenvalues --    1.42590   1.43032   1.46371   1.47995   1.50796
 Alpha virt. eigenvalues --    1.51740   1.54351   1.55517   1.56323   1.61404
 Alpha virt. eigenvalues --    1.62689   1.63578   1.64688   1.65880   1.68222
 Alpha virt. eigenvalues --    1.68713   1.69775   1.71360   1.73894   1.75653
 Alpha virt. eigenvalues --    1.76232   1.77930   1.81663   1.82069   1.84536
 Alpha virt. eigenvalues --    1.86283   1.87409   1.88438   1.89669   1.90998
 Alpha virt. eigenvalues --    1.92264   1.93301   1.93612   1.95893   1.96933
 Alpha virt. eigenvalues --    1.99416   2.00777   2.01987   2.03362   2.04251
 Alpha virt. eigenvalues --    2.04807   2.05902   2.06406   2.08832   2.10328
 Alpha virt. eigenvalues --    2.10859   2.13929   2.14406   2.15975   2.17340
 Alpha virt. eigenvalues --    2.18688   2.19419   2.21243   2.23022   2.25786
 Alpha virt. eigenvalues --    2.28008   2.28836   2.32565   2.33566   2.35209
 Alpha virt. eigenvalues --    2.36923   2.39457   2.39786   2.40344   2.43692
 Alpha virt. eigenvalues --    2.46892   2.48373   2.50063   2.52031   2.52531
 Alpha virt. eigenvalues --    2.54164   2.55325   2.58926   2.60867   2.63615
 Alpha virt. eigenvalues --    2.67443   2.67706   2.69657   2.72266   2.73887
 Alpha virt. eigenvalues --    2.80417   2.85963   2.87418   2.89174   2.89467
 Alpha virt. eigenvalues --    2.91628   2.97890   3.00336   3.02375   3.05359
 Alpha virt. eigenvalues --    3.06837   3.07812   3.11068   3.13757   3.15450
 Alpha virt. eigenvalues --    3.15531   3.18622   3.20286   3.23003   3.23986
 Alpha virt. eigenvalues --    3.36297   3.51465   3.66930   3.73295
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.628223  -0.387656  -0.979682   0.599086  -0.141401   0.694794
     2  C   -0.387656   6.989085   0.860848  -0.162871   0.520081  -0.655953
     3  C   -0.979682   0.860848   8.768927  -0.449764  -0.376976  -0.454607
     4  C    0.599086  -0.162871  -0.449764  11.607037  -3.054880   0.366056
     5  C   -0.141401   0.520081  -0.376976  -3.054880  13.157566  -1.466033
     6  C    0.694794  -0.655953  -0.454607   0.366056  -1.466033   9.122822
     7  C    0.082809   0.058296  -0.734294  -0.108466  -1.251199   0.053494
     8  C   -0.010113  -0.002044   0.088900   0.082505  -0.354162   0.030363
     9  O    0.003906  -0.008976  -0.027779  -0.132099  -0.006963   0.043158
    10  C    0.068870   0.049412  -0.036583  -0.973539   0.043838  -0.766396
    11  H    0.246686  -0.474481  -0.438293  -0.010396   0.095141  -0.052741
    12  H   -0.580551   0.084400  -0.014357   0.094151   0.081600  -0.530348
    13  H   -0.962218  -0.066820  -0.067843  -1.332024   0.368958   0.204772
    14  H   -0.070658  -0.708629   0.196122   0.409400  -1.060681  -0.104555
    15  H   -0.018872  -0.010357   0.151233  -0.040685   0.302981  -0.009291
    16  C    0.003376  -0.006374  -0.069582  -0.174729   0.186303   0.005464
    17  H   -0.000182   0.000223  -0.004191   0.046578   0.076114   0.000014
    18  H   -0.000628  -0.000450   0.010760   0.016326  -0.049390  -0.003173
    19  H   -0.007782  -0.010236   0.008393   0.109233  -0.077877   0.011539
    20  H   -0.004763  -0.004842   0.001089   0.179750   0.148531   0.080623
    21  H   -0.002125  -0.000184  -0.038548   0.169902  -0.012882   0.000435
    22  H   -0.000590   0.000069   0.001023  -0.033518   0.000081  -0.000439
    23  H    0.004361   0.000245   0.020243  -0.117879  -0.016392   0.001329
               7          8          9         10         11         12
     1  C    0.082809  -0.010113   0.003906   0.068870   0.246686  -0.580551
     2  C    0.058296  -0.002044  -0.008976   0.049412  -0.474481   0.084400
     3  C   -0.734294   0.088900  -0.027779  -0.036583  -0.438293  -0.014357
     4  C   -0.108466   0.082505  -0.132099  -0.973539  -0.010396   0.094151
     5  C   -1.251199  -0.354162  -0.006963   0.043838   0.095141   0.081600
     6  C    0.053494   0.030363   0.043158  -0.766396  -0.052741  -0.530348
     7  C    8.059861   0.088792   0.001990  -0.263235   0.000544  -0.002293
     8  C    0.088792   4.594561   0.057356   0.061248   0.000716  -0.000225
     9  O    0.001990   0.057356   8.904161   0.121123   0.000159   0.000518
    10  C   -0.263235   0.061248   0.121123   6.229315  -0.003790   0.012028
    11  H    0.000544   0.000716   0.000159  -0.003790   2.642260  -0.627149
    12  H   -0.002293  -0.000225   0.000518   0.012028  -0.627149   2.842990
    13  H   -0.103829   0.001111  -0.004819   0.001686  -0.723126   0.083548
    14  H   -0.000736  -0.001357  -0.006466  -0.147777   0.073754  -0.684218
    15  H   -0.363832  -0.005878  -0.062837   0.021319  -0.003059   0.000655
    16  C    0.076336  -0.120293   0.025497   0.017787  -0.001617   0.000318
    17  H    0.007898   0.144927  -0.135020   0.001333   0.000015  -0.000004
    18  H    0.115796   0.130577   0.050421  -0.007724   0.000014   0.000032
    19  H    0.028465   0.006990  -0.131506  -0.000044   0.000334  -0.002553
    20  H    0.046259   0.017783   0.032311  -0.264495   0.000317  -0.001953
    21  H    0.118911  -0.007453  -0.006496   0.007798   0.000175   0.000027
    22  H    0.136779   0.014420   0.000317  -0.002957   0.000069   0.000000
    23  H    0.126955   0.029411  -0.003489  -0.000887  -0.000894   0.000006
              13         14         15         16         17         18
     1  C   -0.962218  -0.070658  -0.018872   0.003376  -0.000182  -0.000628
     2  C   -0.066820  -0.708629  -0.010357  -0.006374   0.000223  -0.000450
     3  C   -0.067843   0.196122   0.151233  -0.069582  -0.004191   0.010760
     4  C   -1.332024   0.409400  -0.040685  -0.174729   0.046578   0.016326
     5  C    0.368958  -1.060681   0.302981   0.186303   0.076114  -0.049390
     6  C    0.204772  -0.104555  -0.009291   0.005464   0.000014  -0.003173
     7  C   -0.103829  -0.000736  -0.363832   0.076336   0.007898   0.115796
     8  C    0.001111  -0.001357  -0.005878  -0.120293   0.144927   0.130577
     9  O   -0.004819  -0.006466  -0.062837   0.025497  -0.135020   0.050421
    10  C    0.001686  -0.147777   0.021319   0.017787   0.001333  -0.007724
    11  H   -0.723126   0.073754  -0.003059  -0.001617   0.000015   0.000014
    12  H    0.083548  -0.684218   0.000655   0.000318  -0.000004   0.000032
    13  H    3.188385  -0.028614   0.080799   0.000778  -0.001464   0.001370
    14  H   -0.028614   2.801582  -0.002670  -0.001534   0.000182   0.000551
    15  H    0.080799  -0.002670   1.163012   0.028571  -0.036192   0.023098
    16  C    0.000778  -0.001534   0.028571   4.284756   0.006303  -0.062507
    17  H   -0.001464   0.000182  -0.036192   0.006303   1.459899  -0.171626
    18  H    0.001370   0.000551   0.023098  -0.062507  -0.171626   0.983808
    19  H   -0.000778   0.042420  -0.000645  -0.001395   0.000149   0.005896
    20  H   -0.001566   0.031225  -0.002777  -0.003695  -0.004295   0.003838
    21  H   -0.026460  -0.000040  -0.005039   0.108672   0.001228  -0.011381
    22  H   -0.007092  -0.000022  -0.001856   0.235512  -0.004181  -0.022148
    23  H    0.023389   0.000012  -0.009520   0.179864   0.009104   0.005743
              19         20         21         22         23
     1  C   -0.007782  -0.004763  -0.002125  -0.000590   0.004361
     2  C   -0.010236  -0.004842  -0.000184   0.000069   0.000245
     3  C    0.008393   0.001089  -0.038548   0.001023   0.020243
     4  C    0.109233   0.179750   0.169902  -0.033518  -0.117879
     5  C   -0.077877   0.148531  -0.012882   0.000081  -0.016392
     6  C    0.011539   0.080623   0.000435  -0.000439   0.001329
     7  C    0.028465   0.046259   0.118911   0.136779   0.126955
     8  C    0.006990   0.017783  -0.007453   0.014420   0.029411
     9  O   -0.131506   0.032311  -0.006496   0.000317  -0.003489
    10  C   -0.000044  -0.264495   0.007798  -0.002957  -0.000887
    11  H    0.000334   0.000317   0.000175   0.000069  -0.000894
    12  H   -0.002553  -0.001953   0.000027   0.000000   0.000006
    13  H   -0.000778  -0.001566  -0.026460  -0.007092   0.023389
    14  H    0.042420   0.031225  -0.000040  -0.000022   0.000012
    15  H   -0.000645  -0.002777  -0.005039  -0.001856  -0.009520
    16  C   -0.001395  -0.003695   0.108672   0.235512   0.179864
    17  H    0.000149  -0.004295   0.001228  -0.004181   0.009104
    18  H    0.005896   0.003838  -0.011381  -0.022148   0.005743
    19  H    1.193877  -0.037506   0.000046  -0.000121   0.000065
    20  H   -0.037506   0.843521  -0.000038  -0.000056   0.000144
    21  H    0.000046  -0.000038   0.879797  -0.074557  -0.063879
    22  H   -0.000121  -0.000056  -0.074557   0.915680  -0.046700
    23  H    0.000065   0.000144  -0.063879  -0.046700   1.014288
 Mulliken charges:
               1
     1  C   -0.164891
     2  C   -0.062787
     3  C   -0.415038
     4  C   -1.089172
     5  C   -1.112359
     6  C   -0.571326
     7  C   -0.175301
     8  C    1.151865
     9  O   -0.714467
    10  C    1.831670
    11  H    0.275362
    12  H    0.243377
    13  H    0.371857
    14  H    0.262707
    15  H   -0.198157
    16  C    1.282189
    17  H   -0.396812
    18  H   -0.019204
    19  H   -0.136963
    20  H   -0.059405
    21  H   -0.037911
    22  H   -0.109713
    23  H   -0.155520
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.110471
     2  C    0.180590
     3  C   -0.043181
     4  C   -1.089172
     5  C   -1.112359
     6  C   -0.308619
     7  C   -0.373458
     8  C    0.735849
     9  O   -0.714467
    10  C    1.635301
    16  C    0.979045
 Electronic spatial extent (au):  <R**2>=           1677.0254
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.4161    Y=              0.8932    Z=              0.7332  Tot=              1.2282
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -64.7763   YY=            -63.9146   ZZ=            -69.3747
   XY=             -4.1084   XZ=             -1.1800   YZ=             -2.5427
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.2456   YY=              2.1072   ZZ=             -3.3528
   XY=             -4.1084   XZ=             -1.1800   YZ=             -2.5427
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              1.7871  YYY=             -6.5394  ZZZ=             -0.6555  XYY=              9.0248
  XXY=              7.9182  XXZ=              2.5505  XZZ=             -8.5692  YZZ=             -2.1541
  YYZ=             -0.3537  XYZ=              2.3436
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1278.5438 YYYY=           -802.1238 ZZZZ=           -130.9604 XXXY=             -9.0677
 XXXZ=              8.2917 YYYX=              1.3658 YYYZ=             -6.1608 ZZZX=              1.5176
 ZZZY=              1.1651 XXYY=           -372.3015 XXZZ=           -264.6693 YYZZ=           -164.4141
 XXYZ=            -10.6931 YYXZ=             -3.2421 ZZXY=              1.1786
 N-N= 6.057210306157D+02 E-N=-2.285028091662D+03  KE= 4.580465039450D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:43:01 2021, MaxMem=  5637144576 cpu:               7.0 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.45743460D-01 3.25034285D-01 2.64045368D-01
 Polarizability= 1.40762099D+02-3.06458608D+00 1.25808478D+02
                 7.49566707D-01-4.70672392D+00 7.75810690D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.4727   -0.4726       -1.3013   -1.2987
 2      0.4727    0.4726        2.4085    2.4092       -8.5215   -8.5201
 3      1.3013    1.2987       33.7430   33.7419       -2.4098   -2.4092
 4     -2.4085   -2.4092       -0.0000    0.0000        1.2982    1.2987
 5    -25.2215  -25.2217       -1.2982   -1.2987       -0.4761   -0.4726
 6      2.4098    2.4092        0.4761    0.4726       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.4177    1.4177       -3.8962   -3.8962
 2     -7.2275   -7.2275       -0.0000    0.0000       -3.8962   -3.8962
 3     -7.2275   -7.2275        1.4177    1.4177        0.0000    0.0000
 4      1.4177    1.4177        7.2275    7.2275      -25.5604  -25.5604
 5      3.8962    3.8962      101.2256  101.2256       -7.2275   -7.2275
 6    -75.6652  -75.6652       -3.8962   -3.8962       -1.4177   -1.4177
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0389    0.0000        1.8849    1.8903        5.2895    5.1950
 2     -1.8700   -1.8903       -9.6833   -9.6367       34.0328   34.0805
 3     -5.0843   -5.1950     -134.9993 -134.9674        9.6088    9.6367
 4      9.6751    9.6367        0.0240    0.0000       -5.2375   -5.1950
 5    100.9481  100.8869        5.2191    5.1950        1.8211    1.8903
 6     -9.7476   -9.6367       -2.0414   -1.8903       -0.1075    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0137    0.0000       -3.9639   -3.9962       -5.9408   -6.0345
 2      3.9761    3.9962      -51.8248  -51.5902       34.2158   34.2775
 3      5.9949    6.0345       10.8093   10.6378       51.5294   51.5902
 4     51.6336   51.5902       -0.0198    0.0000        5.9427    6.0345
 5    -45.0190  -44.9153       -6.2944   -6.0345       -4.2960   -3.9962
 6    -51.6090  -51.5902        4.0546    3.9962        0.0394    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.8006   -7.8571      -38.1817  -38.2874        4.1189    4.1784
 2     76.8546   76.7163      -34.7226  -34.8142        3.9637    4.1784
 3     76.8247   76.7163      -38.1834  -38.2874        7.6296    7.8152
 4     -3.2510   -3.4732      -84.6266  -84.5734       26.1296   26.0322
 5      3.6029    3.6368       29.4485   29.0533       84.6491   84.5734
 6    -55.2754  -55.0855       -3.9323   -3.6368        3.3557    3.4732
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4970   -2.6877    0.0003    0.0004    0.0006    3.9771
 Low frequencies ---   70.1151  123.7402  200.9643
 Diagonal vibrational polarizability:
        5.0317686       3.6155170       7.9829815
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.1145               123.7388               200.9643
 Red. masses --      2.8599                 2.8179                 2.1808
 Frc consts  --      0.0083                 0.0254                 0.0519
 IR Inten    --      0.3599                 0.2363                 1.1164
 RamAct Fr= 1--      2.1883                 2.8133                 1.8207
  Dep-P Fr= 1--      0.7497                 0.7340                 0.6890
  Dep-U Fr= 1--      0.8570                 0.8466                 0.8159
 Alpha2 Fr= 1--      0.0000                 0.0008                 0.0019
 Beta2  Fr= 1--      0.3125                 0.3970                 0.2476
 AlphaG Fr= 1--     -0.0002                -0.0016                 0.0038
 Gamma2 Fr= 1--      1.1056                 0.3512                 0.2394
 Delta2 Fr= 1--      0.1235                 0.1757                 0.2535
 Raman1 Fr= 1--       8.753                 11.253                  7.283
 ROA1   Fr= 1--     110.093                 39.338                 31.089
 CID1   Fr= 1--      12.578                  3.496                  4.269
 Raman2 Fr= 1--       3.751                  4.763                  2.971
 ROA2   Fr= 1--      25.548                  7.023                  3.717
 CID2   Fr= 1--       6.812                  1.474                  1.251
 Raman3 Fr= 1--       7.501                  9.527                  5.942
 ROA3   Fr= 1--     110.093                 39.338                 31.089
 CID3   Fr= 1--      14.677                  4.129                  5.232
 RC180  Fr= 1--       0.714                  0.693                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.13    -0.02   0.01  -0.03    -0.03   0.04   0.13
     2   6    -0.00   0.00   0.00    -0.03   0.04   0.18    -0.01   0.03   0.03
     3   6     0.01  -0.02  -0.13    -0.01  -0.02  -0.17    -0.02   0.01   0.00
     4   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.13    -0.00  -0.02  -0.11
     5   6    -0.01   0.02   0.09    -0.01  -0.00  -0.05     0.00  -0.02  -0.11
     6   6    -0.01   0.02   0.10    -0.02   0.03   0.14     0.01  -0.00  -0.11
     7   6     0.01   0.03   0.01    -0.02  -0.00  -0.01     0.00  -0.01  -0.07
     8   6    -0.05  -0.01  -0.17     0.04  -0.00   0.11    -0.03   0.02  -0.07
     9   8     0.06   0.00  -0.11    -0.04   0.02   0.00    -0.02  -0.04   0.07
    10   6    -0.02   0.04   0.12     0.01  -0.04  -0.16    -0.02   0.02   0.10
    11   1     0.01  -0.03  -0.23    -0.03   0.01  -0.04    -0.04   0.07   0.28
    12   1    -0.00   0.01   0.01    -0.04   0.07   0.34    -0.01   0.05   0.09
    13   1     0.01  -0.03  -0.23    -0.02  -0.03  -0.28    -0.04   0.01   0.05
    14   1    -0.01   0.03   0.18    -0.02   0.05   0.27     0.02  -0.00  -0.13
    15   1     0.04   0.20   0.02    -0.16   0.01   0.02    -0.04   0.06  -0.06
    16   6     0.02  -0.07   0.21     0.10  -0.01   0.08     0.11  -0.04   0.05
    17   1     0.00  -0.01  -0.33    -0.01   0.01   0.27    -0.01   0.01  -0.15
    18   1    -0.22  -0.03  -0.17     0.22  -0.03   0.10    -0.11   0.10  -0.06
    19   1     0.04  -0.04   0.27    -0.00   0.08  -0.34    -0.06  -0.10   0.27
    20   1    -0.18   0.18   0.14     0.10  -0.24  -0.21     0.01   0.24   0.17
    21   1    -0.03  -0.27   0.21     0.29  -0.03   0.03     0.52  -0.01  -0.04
    22   1     0.03  -0.02   0.20     0.08  -0.01   0.27     0.06  -0.15   0.45
    23   1     0.07  -0.02   0.38     0.03  -0.01  -0.00    -0.13   0.02  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    231.5161               281.2887               317.3786
 Red. masses --      1.3700                 2.6069                 2.5440
 Frc consts  --      0.0433                 0.1215                 0.1510
 IR Inten    --      0.3468                 0.0741                 8.4091
 RamAct Fr= 1--      0.7929                 0.3038                 0.3980
  Dep-P Fr= 1--      0.7466                 0.3036                 0.4286
  Dep-U Fr= 1--      0.8549                 0.4658                 0.6000
 Alpha2 Fr= 1--      0.0000                 0.0031                 0.0027
 Beta2  Fr= 1--      0.1130                 0.0236                 0.0398
 AlphaG Fr= 1--      0.0004                -0.0013                 0.0077
 Gamma2 Fr= 1--     -0.0464                -0.2624                -0.2660
 Delta2 Fr= 1--      0.0186                 0.0238                -0.0710
 Raman1 Fr= 1--       3.171                  1.215                  1.592
 ROA1   Fr= 1--      -3.863                -24.431                -27.806
 CID1   Fr= 1--      -1.218                -20.103                -17.464
 Raman2 Fr= 1--       1.356                  0.283                  0.478
 ROA2   Fr= 1--      -1.263                 -6.488                 -5.816
 CID2   Fr= 1--      -0.931                -22.925                -12.175
 Raman3 Fr= 1--       2.711                  0.566                  0.955
 ROA3   Fr= 1--      -3.863                -24.431                -27.806
 CID3   Fr= 1--      -1.425                -43.160                -29.104
 RC180  Fr= 1--       0.710                 -0.068                  0.200
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.05    -0.10   0.08  -0.01     0.03   0.02  -0.06
     2   6    -0.00  -0.00  -0.04    -0.03   0.09  -0.05     0.02   0.01  -0.05
     3   6    -0.02  -0.00   0.04    -0.12  -0.02   0.05     0.02   0.03   0.08
     4   6    -0.01  -0.01   0.07    -0.04  -0.09   0.06     0.02   0.02   0.05
     5   6    -0.00  -0.01   0.07     0.00  -0.07   0.06    -0.00   0.02   0.04
     6   6    -0.00  -0.00   0.05     0.04   0.02   0.01     0.00   0.03   0.08
     7   6    -0.00  -0.01   0.03     0.00  -0.04   0.03     0.05   0.00  -0.07
     8   6    -0.00  -0.01  -0.00    -0.04  -0.01  -0.01    -0.07   0.05  -0.12
     9   8     0.03   0.02  -0.08     0.01   0.01  -0.05    -0.11  -0.08   0.17
    10   6    -0.01  -0.01  -0.01    -0.02  -0.06   0.00     0.03  -0.04  -0.11
    11   1    -0.01  -0.01  -0.12    -0.15   0.12  -0.04     0.04   0.00  -0.14
    12   1     0.01  -0.01  -0.11    -0.00   0.15  -0.11     0.02  -0.01  -0.13
    13   1    -0.03  -0.00   0.05    -0.19  -0.04   0.06     0.01   0.03   0.11
    14   1     0.01   0.00   0.06     0.13   0.04  -0.01     0.01   0.04   0.12
    15   1     0.02  -0.04   0.03     0.03  -0.05   0.02     0.14   0.07  -0.07
    16   6     0.01   0.04  -0.03     0.25   0.06  -0.04     0.03  -0.05   0.02
    17   1     0.00  -0.01  -0.01    -0.03  -0.02  -0.05     0.01   0.07  -0.38
    18   1    -0.02  -0.07  -0.01    -0.09  -0.05  -0.01    -0.33   0.25  -0.11
    19   1     0.03   0.01  -0.03    -0.04  -0.05  -0.01     0.02   0.15  -0.41
    20   1    -0.07  -0.06  -0.03    -0.09  -0.09  -0.01     0.23  -0.36  -0.18
    21   1     0.50   0.30  -0.12     0.07   0.00  -0.00     0.10  -0.12  -0.00
    22   1    -0.08  -0.23   0.41     0.33   0.41  -0.22     0.02  -0.08   0.10
    23   1    -0.37   0.08  -0.43     0.59  -0.11   0.04    -0.03  -0.00   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    383.8280               401.0997               435.0432
 Red. masses --      2.9276                 3.0497                 4.3217
 Frc consts  --      0.2541                 0.2891                 0.4819
 IR Inten    --      0.4174                 0.9095                 0.8484
 RamAct Fr= 1--      1.8674                 0.3839                 3.4572
  Dep-P Fr= 1--      0.1141                 0.4395                 0.6722
  Dep-U Fr= 1--      0.2048                 0.6106                 0.8040
 Alpha2 Fr= 1--      0.0316                 0.0025                 0.0048
 Beta2  Fr= 1--      0.0637                 0.0391                 0.4633
 AlphaG Fr= 1--      0.0253                 0.0009                -0.0076
 Gamma2 Fr= 1--     -0.5983                 0.1931                 0.8691
 Delta2 Fr= 1--     -0.1950                 0.0635                 0.5246
 Raman1 Fr= 1--       7.470                  1.536                 13.829
 ROA1   Fr= 1--     -63.673                 20.565                100.216
 CID1   Fr= 1--      -8.524                 13.392                  7.247
 Raman2 Fr= 1--       0.765                  0.469                  5.559
 ROA2   Fr= 1--     -12.798                  4.125                 16.661
 CID2   Fr= 1--     -16.732                  8.799                  2.997
 Raman3 Fr= 1--       1.530                  0.938                 11.118
 ROA3   Fr= 1--     -63.673                 20.565                100.216
 CID3   Fr= 1--     -41.621                 21.932                  9.014
 RC180  Fr= 1--      -0.590                  0.221                  0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.00     0.01  -0.08   0.02    -0.15  -0.06   0.08
     2   6     0.07   0.06   0.13    -0.03  -0.08   0.05    -0.06  -0.05  -0.05
     3   6    -0.00  -0.09  -0.14     0.03   0.03  -0.05    -0.13  -0.09  -0.04
     4   6     0.02  -0.09   0.09    -0.06   0.11   0.02    -0.09  -0.07  -0.05
     5   6     0.08  -0.10  -0.03    -0.03   0.12  -0.02    -0.01  -0.05   0.11
     6   6     0.13  -0.03  -0.11    -0.08   0.00  -0.06    -0.01  -0.07  -0.03
     7   6     0.01   0.01   0.14    -0.11   0.03   0.09    -0.02   0.15  -0.12
     8   6    -0.12   0.05  -0.03    -0.08  -0.13  -0.03     0.12   0.13  -0.07
     9   8    -0.03   0.06   0.03     0.09  -0.13   0.03     0.21   0.08   0.09
    10   6    -0.01  -0.03  -0.03     0.13   0.02  -0.01     0.14  -0.10   0.02
    11   1    -0.04   0.07  -0.01     0.05  -0.12   0.02    -0.18  -0.02   0.16
    12   1     0.08   0.14   0.28    -0.05  -0.13   0.10    -0.04   0.01  -0.14
    13   1    -0.06  -0.13  -0.29     0.16   0.05  -0.10    -0.15  -0.10  -0.10
    14   1     0.21  -0.03  -0.21    -0.20  -0.04  -0.12    -0.01  -0.09  -0.12
    15   1     0.10   0.01   0.12    -0.12   0.05   0.10     0.01   0.24  -0.11
    16   6    -0.09   0.08   0.00     0.06   0.16   0.01    -0.07   0.10   0.05
    17   1    -0.03   0.08  -0.32    -0.04  -0.24  -0.24     0.09  -0.07  -0.07
    18   1    -0.44   0.04  -0.03    -0.30  -0.15  -0.03     0.14   0.29  -0.06
    19   1    -0.12  -0.03  -0.09     0.25   0.09  -0.06     0.13   0.05  -0.24
    20   1     0.01  -0.07  -0.04     0.22  -0.05  -0.02     0.19  -0.39  -0.06
    21   1    -0.13   0.27   0.02     0.10   0.28   0.00    -0.06  -0.04   0.04
    22   1    -0.10  -0.05  -0.07     0.10   0.37   0.01    -0.09   0.01   0.08
    23   1    -0.17   0.07  -0.12     0.23  -0.02  -0.15    -0.14   0.20   0.17
                     10                     11                     12
                      A                      A                      A
 Frequencies --    453.2907               501.4571               535.4541
 Red. masses --      3.2336                 4.1877                 4.5117
 Frc consts  --      0.3915                 0.6204                 0.7621
 IR Inten    --      5.8594                 1.8608                 1.8224
 RamAct Fr= 1--      1.3454                 2.6093                 9.9187
  Dep-P Fr= 1--      0.4236                 0.6898                 0.0673
  Dep-U Fr= 1--      0.5951                 0.8164                 0.1261
 Alpha2 Fr= 1--      0.0091                 0.0028                 0.1880
 Beta2  Fr= 1--      0.1335                 0.3550                 0.2085
 AlphaG Fr= 1--     -0.0049                -0.0054                -0.0474
 Gamma2 Fr= 1--      1.3541                -1.8692                -1.1637
 Delta2 Fr= 1--      0.1081                -0.3188                -0.1715
 Raman1 Fr= 1--       5.382                 10.437                 39.675
 ROA1   Fr= 1--     133.450               -189.645               -117.204
 CID1   Fr= 1--      24.797                -18.170                 -2.954
 Raman2 Fr= 1--       1.601                  4.261                  2.501
 ROA2   Fr= 1--      31.633                -42.311                -26.556
 CID2   Fr= 1--      19.753                 -9.931                -10.617
 Raman3 Fr= 1--       3.203                  8.521                  5.003
 ROA3   Fr= 1--     133.450               -189.645               -117.204
 CID3   Fr= 1--      41.666                -22.256                -23.428
 RC180  Fr= 1--       0.190                  0.633                 -0.748
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06   0.11    -0.03   0.04  -0.15     0.14   0.09   0.13
     2   6    -0.07   0.02   0.02    -0.16   0.06   0.11     0.12   0.05  -0.14
     3   6     0.04   0.05  -0.17    -0.02   0.06   0.06     0.10  -0.08  -0.05
     4   6     0.04   0.06   0.13     0.05   0.01   0.10     0.01  -0.04  -0.16
     5   6    -0.08   0.05   0.23    -0.07  -0.09  -0.17    -0.05  -0.07   0.08
     6   6    -0.07   0.01  -0.16    -0.10  -0.01  -0.03     0.04   0.11   0.07
     7   6     0.09  -0.03  -0.02     0.17   0.10   0.06    -0.05   0.12   0.01
     8   6     0.08  -0.01  -0.01     0.20   0.00  -0.07     0.02  -0.05  -0.03
     9   8    -0.06  -0.05  -0.02    -0.01  -0.14   0.01    -0.10  -0.14  -0.05
    10   6    -0.06  -0.03   0.01    -0.03  -0.14   0.02    -0.10  -0.18   0.04
    11   1     0.06   0.02   0.15     0.03  -0.03  -0.29     0.07   0.17   0.32
    12   1    -0.08  -0.04  -0.06    -0.18   0.06   0.29     0.11  -0.06  -0.26
    13   1     0.04  -0.01  -0.51    -0.12   0.05   0.11     0.06  -0.07   0.04
    14   1    -0.03  -0.04  -0.52    -0.04   0.02   0.06     0.11   0.14   0.15
    15   1     0.17  -0.06  -0.04     0.29   0.19   0.05    -0.15   0.24   0.04
    16   6     0.04  -0.08  -0.02    -0.01   0.11   0.03    -0.07   0.21   0.07
    17   1     0.06   0.07   0.09     0.20   0.07  -0.03    -0.02  -0.06   0.11
    18   1     0.17  -0.02  -0.01     0.24   0.00  -0.07     0.15  -0.10  -0.03
    19   1     0.09   0.12  -0.13    -0.04  -0.27   0.21    -0.05  -0.15   0.02
    20   1    -0.13  -0.25  -0.06     0.01   0.11   0.10    -0.19  -0.21   0.01
    21   1     0.08  -0.10  -0.03    -0.10   0.23   0.06    -0.10   0.28   0.08
    22   1     0.03  -0.11   0.02    -0.03  -0.05  -0.08    -0.07   0.20   0.02
    23   1     0.01  -0.05  -0.01    -0.11   0.16  -0.00    -0.06   0.18   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    591.6772               660.4895               725.6996
 Red. masses --      2.9716                 4.5214                 4.0083
 Frc consts  --      0.6129                 1.1621                 1.2437
 IR Inten    --      2.1589                10.6531                 3.5501
 RamAct Fr= 1--      1.9465                 2.5517                11.3930
  Dep-P Fr= 1--      0.3464                 0.4905                 0.0743
  Dep-U Fr= 1--      0.5146                 0.6581                 0.1383
 Alpha2 Fr= 1--      0.0173                 0.0132                 0.2123
 Beta2  Fr= 1--      0.1669                 0.2799                 0.2627
 AlphaG Fr= 1--      0.0169                 0.0011                 0.0685
 Gamma2 Fr= 1--      1.0160                -0.2076                -0.6329
 Delta2 Fr= 1--      0.2279                -0.3280                 0.0838
 Raman1 Fr= 1--       7.786                 10.207                 45.572
 ROA1   Fr= 1--     104.835                -30.424                -58.078
 CID1   Fr= 1--      13.465                 -2.981                 -1.274
 Raman2 Fr= 1--       2.003                  3.359                  3.152
 ROA2   Fr= 1--      22.562                 -2.358                -15.860
 CID2   Fr= 1--      11.263                 -0.702                 -5.032
 Raman3 Fr= 1--       4.006                  6.718                  6.304
 ROA3   Fr= 1--     104.835                -30.424                -58.078
 CID3   Fr= 1--      26.167                 -4.529                 -9.213
 RC180  Fr= 1--       0.029                  0.316                 -0.723
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05   0.10     0.20   0.08  -0.07     0.02   0.03  -0.15
     2   6    -0.13  -0.03  -0.15    -0.04   0.06   0.04    -0.09   0.01   0.11
     3   6    -0.00   0.10  -0.10     0.11  -0.10   0.06     0.04   0.23   0.07
     4   6     0.10  -0.01  -0.13    -0.03  -0.04  -0.05     0.11   0.03  -0.18
     5   6     0.01  -0.01  -0.02    -0.17  -0.05  -0.02     0.06  -0.05   0.17
     6   6    -0.06  -0.06   0.10    -0.18   0.19  -0.10     0.09  -0.20  -0.09
     7   6     0.14  -0.06   0.17    -0.03  -0.04   0.03    -0.07   0.01  -0.06
     8   6    -0.00  -0.01   0.02    -0.04   0.03   0.05    -0.08  -0.03   0.02
     9   8     0.04   0.03   0.01     0.18   0.15   0.02     0.01   0.02  -0.02
    10   6     0.01   0.02  -0.01    -0.02  -0.16   0.06    -0.05  -0.09   0.06
    11   1     0.02  -0.01   0.38     0.17   0.11   0.02     0.17  -0.11   0.06
    12   1    -0.13   0.00  -0.16    -0.14  -0.21   0.24    -0.06   0.16   0.24
    13   1    -0.06   0.11   0.07     0.04  -0.08   0.24     0.03   0.29   0.40
    14   1    -0.05  -0.03   0.29    -0.14   0.21   0.01     0.19  -0.18  -0.13
    15   1     0.04  -0.06   0.18    -0.10  -0.14   0.03    -0.21  -0.01  -0.03
    16   6     0.01  -0.02  -0.01     0.02  -0.10  -0.04    -0.03   0.05   0.01
    17   1     0.12   0.12  -0.32     0.03  -0.06  -0.25    -0.09  -0.09   0.03
    18   1    -0.38  -0.09   0.02    -0.35   0.04   0.05    -0.07  -0.03   0.02
    19   1     0.00   0.05  -0.06    -0.08  -0.07  -0.11    -0.02   0.04  -0.13
    20   1     0.04  -0.04  -0.02    -0.01  -0.34   0.01    -0.15  -0.35  -0.03
    21   1    -0.17   0.23   0.05     0.02  -0.11  -0.04     0.01  -0.04  -0.00
    22   1    -0.00  -0.19  -0.23     0.02  -0.08  -0.03    -0.02   0.13   0.08
    23   1    -0.07  -0.03  -0.11     0.03  -0.11  -0.03     0.01   0.05   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    750.3471               771.6745               838.8694
 Red. masses --      1.9002                 1.8036                 4.0448
 Frc consts  --      0.6303                 0.6328                 1.6770
 IR Inten    --     29.2085                28.5776                 0.8743
 RamAct Fr= 1--      5.4896                 2.8820                 4.5755
  Dep-P Fr= 1--      0.1106                 0.2802                 0.1918
  Dep-U Fr= 1--      0.1992                 0.4377                 0.3219
 Alpha2 Fr= 1--      0.0936                 0.0313                 0.0635
 Beta2  Fr= 1--      0.1822                 0.2103                 0.2455
 AlphaG Fr= 1--     -0.0108                 0.0098                -0.0194
 Gamma2 Fr= 1--      0.0889                -0.8857                 0.5301
 Delta2 Fr= 1--      0.1618                 0.0749                 0.1881
 Raman1 Fr= 1--      21.958                 11.528                 18.302
 ROA1   Fr= 1--      13.715                -82.634                 56.903
 CID1   Fr= 1--       0.625                 -7.168                  3.109
 Raman2 Fr= 1--       2.187                  2.523                  2.946
 ROA2   Fr= 1--       0.840                -21.856                 11.217
 CID2   Fr= 1--       0.384                 -8.662                  3.808
 Raman3 Fr= 1--       4.374                  5.046                  5.892
 ROA3   Fr= 1--      13.715                -82.634                 56.903
 CID3   Fr= 1--       3.136                -16.375                  9.658
 RC180  Fr= 1--      -0.602                 -0.125                 -0.356
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.07  -0.09     0.02   0.02  -0.00     0.13   0.14  -0.05
     2   6     0.07  -0.01   0.00    -0.01  -0.02  -0.12    -0.22   0.06  -0.02
     3   6    -0.05  -0.08  -0.00     0.03   0.04  -0.09     0.07  -0.18   0.02
     4   6    -0.04  -0.02  -0.06    -0.00   0.04   0.17     0.07  -0.16   0.01
     5   6    -0.02   0.07   0.10     0.02  -0.03  -0.06     0.01  -0.05   0.07
     6   6     0.01   0.06  -0.09     0.01  -0.04   0.00    -0.06  -0.07   0.01
     7   6     0.06  -0.01   0.05    -0.06   0.01  -0.05     0.00  -0.00  -0.07
     8   6     0.05   0.00  -0.02    -0.03   0.00  -0.00    -0.08  -0.05  -0.00
     9   8    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.04   0.01
    10   6     0.00   0.07   0.02    -0.01  -0.05   0.00     0.10   0.25  -0.06
    11   1    -0.18   0.10   0.45     0.04   0.04   0.50     0.14   0.14   0.18
    12   1     0.04   0.07   0.50    -0.05   0.09   0.52    -0.27  -0.08   0.06
    13   1    -0.05  -0.00   0.48     0.03   0.07   0.06    -0.24  -0.23   0.16
    14   1    -0.09   0.07   0.18     0.01   0.03   0.49     0.11  -0.04  -0.10
    15   1     0.05   0.06   0.06     0.09  -0.06  -0.08     0.07   0.02  -0.07
    16   6     0.02  -0.01   0.00    -0.01  -0.00  -0.01    -0.02   0.09   0.02
    17   1     0.07   0.11  -0.01    -0.07  -0.09   0.09    -0.16  -0.15   0.22
    18   1     0.05  -0.03  -0.02     0.08   0.05  -0.00     0.17  -0.04  -0.00
    19   1     0.13   0.17  -0.07    -0.07  -0.07   0.01     0.20   0.24   0.01
    20   1    -0.04  -0.07  -0.03     0.00  -0.02   0.01     0.16   0.29  -0.04
    21   1    -0.07   0.11   0.03     0.11  -0.16  -0.05    -0.03  -0.01   0.02
    22   1     0.01  -0.11  -0.11    -0.00   0.13   0.15    -0.03   0.03   0.07
    23   1    -0.03  -0.01  -0.06     0.06  -0.01   0.06    -0.08   0.17   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    878.4612               910.0244               942.4821
 Red. masses --      1.3563                 1.6494                 1.3594
 Frc consts  --      0.6167                 0.8048                 0.7114
 IR Inten    --      0.0716                 4.7759                 0.9822
 RamAct Fr= 1--      0.5950                 1.0075                 0.2987
  Dep-P Fr= 1--      0.7384                 0.4455                 0.5165
  Dep-U Fr= 1--      0.8495                 0.6164                 0.6812
 Alpha2 Fr= 1--      0.0001                 0.0063                 0.0014
 Beta2  Fr= 1--      0.0842                 0.1035                 0.0339
 AlphaG Fr= 1--     -0.0002                 0.0181                 0.0019
 Gamma2 Fr= 1--      0.0009                 0.8372                 0.2697
 Delta2 Fr= 1--      0.1337                 0.6363                -0.1141
 Raman1 Fr= 1--       2.380                  4.030                  1.195
 ROA1   Fr= 1--       4.361                100.730                 22.241
 CID1   Fr= 1--       1.833                 24.996                 18.612
 Raman2 Fr= 1--       1.011                  1.242                  0.407
 ROA2   Fr= 1--      -1.048                 15.002                  7.386
 CID2   Fr= 1--      -1.037                 12.078                 18.147
 Raman3 Fr= 1--       2.022                  2.484                  0.814
 ROA3   Fr= 1--       4.361                100.730                 22.241
 CID3   Fr= 1--       2.157                 40.551                 27.323
 RC180  Fr= 1--       0.699                  0.233                  0.362
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.06    -0.04  -0.04  -0.00    -0.01   0.01   0.05
     2   6    -0.00  -0.00  -0.04     0.02  -0.01   0.00    -0.01   0.01   0.08
     3   6    -0.00  -0.00   0.10    -0.02   0.00  -0.00     0.01  -0.02  -0.10
     4   6     0.01  -0.02  -0.04     0.02   0.01   0.00     0.00   0.00   0.04
     5   6    -0.00   0.01   0.03    -0.00   0.02  -0.00     0.00   0.00  -0.01
     6   6     0.01  -0.02  -0.10    -0.01   0.04  -0.00     0.01  -0.01  -0.09
     7   6     0.01  -0.00  -0.00     0.10   0.03  -0.05     0.00   0.00   0.00
     8   6    -0.01  -0.01   0.00    -0.08  -0.02   0.12    -0.02   0.00  -0.01
     9   8    -0.01  -0.00  -0.01    -0.00  -0.03  -0.04    -0.00  -0.00  -0.01
    10   6     0.00   0.03   0.02     0.03  -0.03   0.01     0.00   0.01   0.03
    11   1     0.02  -0.05  -0.41    -0.06  -0.01   0.02     0.02  -0.04  -0.27
    12   1    -0.03   0.04   0.30     0.03  -0.00  -0.00     0.03  -0.07  -0.50
    13   1     0.01  -0.10  -0.53    -0.03  -0.00  -0.00    -0.03   0.08   0.53
    14   1    -0.04   0.08   0.61    -0.06   0.03  -0.03    -0.04   0.07   0.54
    15   1    -0.04   0.02   0.01     0.08  -0.32  -0.09     0.09   0.00  -0.02
    16   6     0.00   0.01   0.01     0.04   0.09  -0.04     0.00  -0.00  -0.00
    17   1    -0.01   0.01   0.01    -0.02   0.02  -0.08    -0.05  -0.02   0.08
    18   1    -0.00  -0.03   0.00    -0.28  -0.12   0.11     0.07   0.00  -0.01
    19   1     0.05   0.11  -0.07     0.07  -0.05   0.05     0.04   0.08  -0.06
    20   1    -0.01  -0.09  -0.02    -0.00   0.01   0.01     0.01  -0.10  -0.00
    21   1    -0.03   0.04   0.02    -0.03  -0.38  -0.05     0.01  -0.03  -0.01
    22   1    -0.00  -0.04  -0.03    -0.04  -0.24   0.11     0.00   0.00   0.01
    23   1    -0.03   0.03   0.01    -0.22   0.48   0.44    -0.00   0.01   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    961.0338               964.6707               980.2272
 Red. masses --      1.8165                 1.3013                 2.3635
 Frc consts  --      0.9884                 0.7135                 1.3380
 IR Inten    --      4.6868                 0.7389                28.7010
 RamAct Fr= 1--      0.8492                 0.2137                 1.3059
  Dep-P Fr= 1--      0.2581                 0.1534                 0.4967
  Dep-U Fr= 1--      0.4103                 0.2660                 0.6637
 Alpha2 Fr= 1--      0.0098                 0.0033                 0.0065
 Beta2  Fr= 1--      0.0581                 0.0095                 0.1445
 AlphaG Fr= 1--     -0.0148                 0.0117                -0.0115
 Gamma2 Fr= 1--     -0.5231                 0.1614                 0.0375
 Delta2 Fr= 1--     -0.3208                -0.0176                 0.1352
 Raman1 Fr= 1--       3.397                  0.855                  5.224
 ROA1   Fr= 1--     -60.482                 14.930                  7.929
 CID1   Fr= 1--     -17.805                 17.462                  1.518
 Raman2 Fr= 1--       0.697                  0.114                  1.733
 ROA2   Fr= 1--      -9.987                  4.014                 -0.180
 CID2   Fr= 1--     -14.332                 35.295                 -0.104
 Raman3 Fr= 1--       1.394                  0.227                  3.467
 ROA3   Fr= 1--     -60.482                 14.930                  7.929
 CID3   Fr= 1--     -43.397                 65.637                  2.287
 RC180  Fr= 1--      -0.179                 -0.468                  0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.04     0.01  -0.02  -0.09     0.02   0.01   0.01
     2   6     0.01   0.01   0.04    -0.01   0.01   0.07    -0.06   0.01  -0.01
     3   6    -0.01  -0.02   0.02    -0.00   0.02   0.06     0.01  -0.03   0.00
     4   6     0.01   0.00  -0.00    -0.00   0.00   0.01    -0.02   0.00  -0.02
     5   6    -0.01  -0.00   0.02     0.00  -0.00  -0.01     0.03   0.01   0.04
     6   6     0.01  -0.02  -0.03    -0.00   0.00  -0.03    -0.00  -0.02  -0.02
     7   6    -0.01  -0.06  -0.01     0.00   0.02   0.01    -0.05  -0.02   0.04
     8   6     0.15  -0.08  -0.01    -0.05   0.03   0.00     0.04   0.20   0.07
     9   8     0.02   0.03   0.05    -0.01  -0.01  -0.02    -0.08  -0.07  -0.09
    10   6    -0.10   0.06  -0.05     0.04  -0.02   0.01     0.15  -0.07  -0.00
    11   1    -0.06   0.07   0.22    -0.02   0.07   0.61     0.05  -0.03  -0.05
    12   1     0.04  -0.00  -0.26     0.02  -0.08  -0.49    -0.07  -0.01   0.01
    13   1    -0.01  -0.05  -0.12     0.03  -0.05  -0.44     0.02  -0.03   0.05
    14   1    -0.00   0.02   0.20    -0.03   0.04   0.27     0.03   0.01   0.08
    15   1    -0.06  -0.35  -0.04     0.01   0.11   0.02    -0.18  -0.24   0.03
    16   6    -0.08   0.07   0.00     0.02  -0.02   0.00    -0.07  -0.03  -0.02
    17   1     0.28   0.02  -0.36    -0.08   0.00   0.10     0.16   0.49  -0.17
    18   1    -0.22  -0.10  -0.00     0.06   0.03   0.00    -0.21   0.12   0.05
    19   1    -0.14   0.03  -0.03     0.03  -0.03   0.02     0.28  -0.17   0.22
    20   1    -0.10   0.09  -0.04     0.04  -0.00   0.02     0.09   0.16   0.05
    21   1     0.16  -0.17  -0.06    -0.05   0.07   0.02     0.15  -0.14  -0.07
    22   1    -0.05   0.37   0.28     0.01  -0.11  -0.09    -0.03   0.29   0.18
    23   1     0.14  -0.01   0.11    -0.03  -0.01  -0.04     0.17  -0.18  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1024.7519              1050.2594              1068.6883
 Red. masses --      1.9089                 2.7252                 2.4108
 Frc consts  --      1.1811                 1.7711                 1.6222
 IR Inten    --      5.1264                 2.1061                 5.7955
 RamAct Fr= 1--      3.7178                 6.9991                39.1811
  Dep-P Fr= 1--      0.3392                 0.2410                 0.0565
  Dep-U Fr= 1--      0.5066                 0.3884                 0.1069
 Alpha2 Fr= 1--      0.0338                 0.0851                 0.7621
 Beta2  Fr= 1--      0.3139                 0.4531                 0.6979
 AlphaG Fr= 1--     -0.0294                -0.0063                 0.1889
 Gamma2 Fr= 1--     -0.5822                 1.8287                -2.0767
 Delta2 Fr= 1--     -0.1800                -0.1620                -1.9939
 Raman1 Fr= 1--      14.871                 27.996                156.725
 ROA1   Fr= 1--     -61.649                170.366               -263.172
 CID1   Fr= 1--      -4.145                  6.085                 -1.679
 Raman2 Fr= 1--       3.767                  5.437                  8.375
 ROA2   Fr= 1--     -12.532                 45.184                -33.890
 CID2   Fr= 1--      -3.327                  8.311                 -4.047
 Raman3 Fr= 1--       7.534                 10.873                 16.750
 ROA3   Fr= 1--     -61.649                170.366               -263.172
 CID3   Fr= 1--      -8.183                 15.668                -15.712
 RC180  Fr= 1--       0.013                 -0.223                 -0.786
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.01    -0.07  -0.11   0.02     0.09   0.16  -0.02
     2   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.00     0.17  -0.11   0.03
     3   6    -0.00   0.01   0.02     0.00   0.08  -0.01    -0.11   0.11  -0.03
     4   6     0.05  -0.03  -0.01     0.10  -0.06  -0.02    -0.02  -0.05   0.00
     5   6     0.01  -0.00  -0.12     0.01  -0.02   0.10    -0.04  -0.00   0.01
     6   6    -0.02   0.05   0.04    -0.04   0.17  -0.05    -0.06  -0.08   0.00
     7   6     0.03  -0.10   0.01     0.05  -0.16  -0.05     0.00  -0.08  -0.01
     8   6    -0.03   0.02  -0.05    -0.08   0.01  -0.03    -0.01   0.05  -0.01
     9   8    -0.02   0.01  -0.05     0.01   0.04   0.04     0.02  -0.01  -0.00
    10   6     0.01   0.02   0.17     0.05  -0.05  -0.12     0.01   0.00  -0.02
    11   1    -0.02  -0.02   0.05     0.06  -0.24  -0.01    -0.03   0.30  -0.05
    12   1    -0.00  -0.03  -0.01    -0.05  -0.12   0.05     0.10  -0.39   0.07
    13   1    -0.02  -0.01  -0.10     0.06   0.09   0.02    -0.52   0.02  -0.01
    14   1    -0.03   0.01  -0.19     0.01   0.20   0.06    -0.49  -0.20   0.01
    15   1     0.23  -0.22  -0.04     0.26  -0.09  -0.08     0.03  -0.10  -0.02
    16   6    -0.07   0.05   0.03    -0.06   0.07   0.08     0.01   0.03   0.03
    17   1    -0.08   0.16   0.18    -0.17  -0.10   0.19    -0.01   0.04   0.03
    18   1     0.18  -0.01  -0.05     0.18   0.18  -0.02     0.05   0.10  -0.01
    19   1     0.15   0.38  -0.30    -0.15  -0.35   0.23     0.05  -0.04   0.05
    20   1     0.08  -0.51   0.00     0.02   0.38   0.02     0.04   0.08   0.01
    21   1     0.09  -0.01  -0.01    -0.01   0.24   0.08    -0.06   0.09   0.05
    22   1    -0.04   0.29   0.19    -0.03   0.24   0.06     0.01   0.01  -0.03
    23   1     0.10  -0.04   0.03     0.05  -0.06  -0.06    -0.04   0.06   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1116.9134              1126.3546              1145.6700
 Red. masses --      2.2845                 3.3563                 1.9580
 Frc consts  --      1.6791                 2.5088                 1.5142
 IR Inten    --     14.1859                48.6144                 3.7843
 RamAct Fr= 1--      4.5186                 2.3937                 0.5694
  Dep-P Fr= 1--      0.3554                 0.7402                 0.7451
  Dep-U Fr= 1--      0.5244                 0.8507                 0.8539
 Alpha2 Fr= 1--      0.0390                 0.0004                 0.0000
 Beta2  Fr= 1--      0.3949                 0.3394                 0.0810
 AlphaG Fr= 1--      0.0894                 0.0062                -0.0011
 Gamma2 Fr= 1--     -0.3497                -0.2342                 0.2737
 Delta2 Fr= 1--      1.1468                -0.3471                 0.0293
 Raman1 Fr= 1--      18.074                  9.575                  2.278
 ROA1   Fr= 1--       3.131                -33.593                 27.209
 CID1   Fr= 1--       0.173                 -3.508                 11.946
 Raman2 Fr= 1--       4.739                  4.073                  0.972
 ROA2   Fr= 1--     -17.566                 -2.845                  6.334
 CID2   Fr= 1--      -3.706                 -0.699                  6.513
 Raman3 Fr= 1--       9.479                  8.146                  1.945
 ROA3   Fr= 1--       3.131                -33.593                 27.209
 CID3   Fr= 1--       0.330                 -4.124                 13.990
 RC180  Fr= 1--       0.049                  0.701                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00  -0.00     0.05   0.02   0.00     0.03  -0.05   0.01
     2   6     0.05  -0.01   0.00    -0.03  -0.02  -0.00    -0.00  -0.05   0.01
     3   6    -0.00   0.01   0.01    -0.04   0.01   0.01    -0.06   0.11  -0.02
     4   6     0.09  -0.03  -0.06    -0.07   0.01  -0.06    -0.02  -0.08   0.02
     5   6    -0.04  -0.03   0.03     0.06   0.02   0.04    -0.01  -0.09  -0.00
     6   6    -0.03  -0.00  -0.00    -0.00   0.00  -0.00     0.04   0.11  -0.01
     7   6     0.05   0.15   0.13    -0.02   0.04   0.17    -0.08   0.03   0.06
     8   6    -0.08   0.04   0.01     0.04  -0.14  -0.17     0.05   0.06  -0.02
     9   8     0.07  -0.07   0.02    -0.14   0.15   0.04     0.03  -0.06   0.00
    10   6    -0.06   0.03  -0.05     0.17  -0.08   0.03    -0.05   0.09  -0.01
    11   1    -0.16   0.12  -0.04     0.13  -0.05  -0.00     0.34  -0.35   0.08
    12   1     0.07   0.06   0.01    -0.09  -0.23   0.04    -0.11  -0.42   0.04
    13   1    -0.06  -0.02  -0.05    -0.13  -0.02  -0.04    -0.21   0.07  -0.03
    14   1    -0.13  -0.03  -0.01    -0.03   0.00  -0.01     0.45   0.22  -0.00
    15   1     0.38   0.19   0.07     0.18  -0.10   0.11    -0.21  -0.02   0.08
    16   6    -0.08  -0.07  -0.11     0.01   0.01  -0.11     0.03  -0.00  -0.05
    17   1    -0.16  -0.18   0.17    -0.05   0.07   0.18     0.05  -0.00  -0.04
    18   1     0.09  -0.02   0.01     0.25  -0.25  -0.16     0.04  -0.02  -0.03
    19   1     0.03  -0.01   0.04    -0.25  -0.21   0.02     0.09   0.16  -0.05
    20   1     0.01   0.08  -0.02     0.09   0.10   0.06    -0.02  -0.03  -0.04
    21   1     0.30  -0.36  -0.20     0.09  -0.42  -0.14    -0.03  -0.17  -0.04
    22   1    -0.04   0.30   0.27    -0.02  -0.07   0.18     0.00  -0.14  -0.00
    23   1     0.23  -0.20   0.02     0.01   0.17   0.24    -0.06   0.11   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1165.4666              1189.0545              1224.9047
 Red. masses --      2.2785                 1.1196                 2.2813
 Frc consts  --      1.8234                 0.9327                 2.0167
 IR Inten    --     26.9554                 0.1001                 9.4151
 RamAct Fr= 1--      1.1488                 6.3078                 1.0534
  Dep-P Fr= 1--      0.6661                 0.6412                 0.7387
  Dep-U Fr= 1--      0.7996                 0.7814                 0.8497
 Alpha2 Fr= 1--      0.0017                 0.0124                 0.0002
 Beta2  Fr= 1--      0.1531                 0.8215                 0.1492
 AlphaG Fr= 1--      0.0153                -0.0028                 0.0019
 Gamma2 Fr= 1--     -0.1963                -0.1868                -0.8381
 Delta2 Fr= 1--     -0.8082                -0.3861                -0.3244
 Raman1 Fr= 1--       4.595                 25.231                  4.214
 ROA1   Fr= 1--     -44.709                -30.292                -90.839
 CID1   Fr= 1--      -9.729                 -1.201                -21.558
 Raman2 Fr= 1--       1.837                  9.858                  1.790
 ROA2   Fr= 1--       1.755                 -1.395                -17.519
 CID2   Fr= 1--       0.955                 -0.141                 -9.786
 Raman3 Fr= 1--       3.674                 19.715                  3.580
 ROA3   Fr= 1--     -44.709                -30.292                -90.839
 CID3   Fr= 1--     -12.168                 -1.536                -25.371
 RC180  Fr= 1--       0.599                  0.563                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04  -0.04   0.01     0.08   0.02   0.00
     2   6     0.01  -0.04   0.01     0.02   0.05  -0.01    -0.07  -0.01  -0.00
     3   6    -0.06   0.02  -0.01    -0.04  -0.01  -0.00    -0.07  -0.07   0.01
     4   6     0.08  -0.02   0.04     0.02  -0.01   0.00    -0.14   0.08  -0.06
     5   6     0.04  -0.03  -0.01     0.01   0.00   0.00     0.10   0.14  -0.02
     6   6    -0.01   0.06  -0.01    -0.04   0.00  -0.00     0.08  -0.02   0.01
     7   6     0.05   0.13  -0.12    -0.01   0.01   0.00     0.08  -0.03   0.00
     8   6     0.02  -0.13   0.10     0.00   0.00  -0.00    -0.04   0.01   0.05
     9   8    -0.09   0.06  -0.03    -0.00  -0.00   0.00     0.05  -0.03  -0.00
    10   6     0.08  -0.00   0.05     0.00   0.00   0.00    -0.08  -0.04  -0.02
    11   1     0.03  -0.04   0.01     0.44  -0.43   0.09     0.30  -0.20   0.04
    12   1    -0.09  -0.36   0.04     0.16   0.55  -0.07    -0.16  -0.28   0.03
    13   1    -0.39  -0.06   0.02    -0.36  -0.09  -0.00    -0.27  -0.12  -0.02
    14   1     0.04   0.08  -0.01    -0.35  -0.08  -0.01     0.26   0.02   0.00
    15   1    -0.03   0.39  -0.07    -0.04   0.01   0.01     0.57  -0.01  -0.08
    16   6    -0.05  -0.06   0.02     0.00  -0.01  -0.00    -0.03  -0.00   0.02
    17   1     0.11  -0.03  -0.18     0.00  -0.00  -0.00    -0.03  -0.09  -0.01
    18   1    -0.34  -0.13   0.11    -0.00  -0.01  -0.00    -0.01   0.22   0.06
    19   1     0.06   0.04  -0.02    -0.00   0.01  -0.01    -0.10  -0.07   0.01
    20   1    -0.04  -0.06   0.00    -0.01  -0.00  -0.00    -0.23  -0.07  -0.04
    21   1     0.11   0.16  -0.01     0.00   0.00  -0.00     0.06   0.06   0.00
    22   1     0.01   0.25  -0.04     0.01   0.01  -0.01    -0.00   0.09   0.01
    23   1     0.12  -0.25  -0.19    -0.01  -0.00  -0.00     0.06  -0.07  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1233.6758              1254.4559              1298.1978
 Red. masses --      2.3420                 1.1995                 1.4337
 Frc consts  --      2.1001                 1.1121                 1.4236
 IR Inten    --      5.6245                 6.1526                 2.3372
 RamAct Fr= 1--     35.1322                 6.1546                 1.1566
  Dep-P Fr= 1--      0.0916                 0.2580                 0.7496
  Dep-U Fr= 1--      0.1679                 0.4102                 0.8569
 Alpha2 Fr= 1--      0.6278                 0.0713                 0.0000
 Beta2  Fr= 1--      0.9830                 0.4207                 0.1652
 AlphaG Fr= 1--      0.0217                 0.0031                 0.0007
 Gamma2 Fr= 1--      1.7789                 3.7698                -1.1316
 Delta2 Fr= 1--      0.6810                 1.9392                 0.3833
 Raman1 Fr= 1--     140.529                 24.618                  4.626
 ROA1   Fr= 1--     192.569                423.960                -96.365
 CID1   Fr= 1--       1.370                 17.221                -20.829
 Raman2 Fr= 1--      11.796                  5.049                  1.982
 ROA2   Fr= 1--      37.247                 74.962                -30.223
 CID2   Fr= 1--       3.158                 14.848                -15.248
 Raman3 Fr= 1--      23.591                 10.097                  3.964
 ROA3   Fr= 1--     192.569                423.960                -96.365
 CID3   Fr= 1--       8.163                 41.987                -24.308
 RC180  Fr= 1--      -0.664                 -0.180                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.00     0.02  -0.00   0.00     0.00  -0.04   0.01
     2   6    -0.06   0.00  -0.00     0.01   0.00   0.00     0.02  -0.01   0.00
     3   6    -0.00  -0.08   0.01    -0.02  -0.00  -0.00     0.00  -0.03   0.00
     4   6     0.17   0.04   0.03    -0.04   0.03   0.00     0.07   0.10  -0.01
     5   6     0.20   0.10   0.00    -0.03  -0.01   0.03    -0.09   0.02  -0.02
     6   6    -0.02   0.06  -0.01     0.00  -0.02  -0.00    -0.01  -0.04   0.01
     7   6    -0.07   0.01   0.02     0.06   0.02  -0.04     0.02   0.02   0.01
     8   6    -0.00   0.06  -0.04    -0.04   0.00  -0.01    -0.03   0.01  -0.05
     9   8     0.03  -0.05   0.01     0.04  -0.02  -0.01     0.00   0.03   0.03
    10   6    -0.08  -0.04   0.01    -0.02   0.02   0.01     0.01  -0.03  -0.02
    11   1    -0.20   0.14  -0.03     0.05  -0.04   0.01    -0.12   0.08  -0.02
    12   1    -0.16  -0.31   0.03     0.01   0.00   0.01     0.06   0.09  -0.01
    13   1    -0.32  -0.16   0.01    -0.04  -0.00   0.01    -0.50  -0.16  -0.00
    14   1    -0.38  -0.02  -0.02     0.15   0.02   0.01     0.52   0.09   0.03
    15   1    -0.48  -0.06   0.08    -0.10  -0.03  -0.02    -0.20  -0.40  -0.01
    16   6     0.03  -0.00  -0.02    -0.02  -0.01   0.02     0.01  -0.02   0.02
    17   1    -0.04   0.01   0.05    -0.01   0.41   0.11    -0.09  -0.04   0.10
    18   1     0.07  -0.10  -0.05     0.02  -0.44  -0.04     0.09  -0.06  -0.05
    19   1    -0.35  -0.08  -0.09    -0.46  -0.05  -0.12     0.32  -0.01   0.10
    20   1    -0.02  -0.09   0.01     0.56   0.06   0.11    -0.10   0.03  -0.01
    21   1    -0.05  -0.04  -0.00     0.04   0.05   0.01    -0.02   0.10   0.03
    22   1     0.01  -0.07  -0.01     0.00   0.07  -0.02     0.03   0.04  -0.05
    23   1    -0.06   0.06   0.02     0.03  -0.06  -0.04    -0.03  -0.02  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1314.9143              1323.3312              1336.2522
 Red. masses --      1.7385                 1.3335                 2.4560
 Frc consts  --      1.7710                 1.3759                 2.5838
 IR Inten    --      3.4165                 1.6848                 0.5976
 RamAct Fr= 1--      9.5173                 9.8478                 4.8776
  Dep-P Fr= 1--      0.3050                 0.5845                 0.1929
  Dep-U Fr= 1--      0.4675                 0.7377                 0.3234
 Alpha2 Fr= 1--      0.0961                 0.0305                 0.0675
 Beta2  Fr= 1--      0.7415                 1.2108                 0.2629
 AlphaG Fr= 1--     -0.0183                 0.0101                 0.0907
 Gamma2 Fr= 1--     -0.8140                 2.1803                -0.8512
 Delta2 Fr= 1--     -0.1150                -1.6359                -0.7905
 Raman1 Fr= 1--      38.069                 39.391                 19.510
 ROA1   Fr= 1--     -81.825                156.956               -107.011
 CID1   Fr= 1--      -2.149                  3.985                 -5.485
 Raman2 Fr= 1--       8.898                 14.530                  3.155
 ROA2   Fr= 1--     -18.616                 65.414                -14.105
 CID2   Fr= 1--      -2.092                  4.502                 -4.471
 Raman3 Fr= 1--      17.796                 29.060                  6.309
 ROA3   Fr= 1--     -81.825                156.956               -107.011
 CID3   Fr= 1--      -4.598                  5.401                -16.961
 RC180  Fr= 1--      -0.065                  0.475                 -0.353
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.03  -0.01    -0.01   0.01  -0.00     0.09  -0.10   0.02
     2   6    -0.02  -0.08   0.01    -0.01  -0.02   0.00     0.05   0.10  -0.01
     3   6     0.08  -0.00   0.01     0.02  -0.01  -0.00    -0.11  -0.02  -0.01
     4   6     0.04  -0.05   0.01    -0.01  -0.00   0.02     0.04   0.16  -0.02
     5   6    -0.09   0.12  -0.00    -0.02   0.04  -0.02     0.03  -0.12   0.03
     6   6     0.07   0.01   0.00     0.02  -0.00   0.00    -0.14  -0.05  -0.00
     7   6    -0.05  -0.05   0.02     0.05  -0.11  -0.01    -0.00  -0.10   0.03
     8   6     0.05  -0.00   0.03    -0.04  -0.02  -0.00     0.01  -0.02   0.03
     9   8    -0.03   0.02  -0.06     0.03   0.01   0.04    -0.01  -0.02  -0.05
    10   6    -0.03  -0.04   0.03    -0.01  -0.02  -0.02     0.03   0.05   0.02
    11   1    -0.01  -0.02  -0.00     0.01  -0.01   0.01    -0.17   0.16  -0.03
    12   1     0.05   0.16  -0.01     0.02   0.05  -0.01     0.01  -0.03   0.01
    13   1    -0.33  -0.11  -0.00    -0.10  -0.03   0.01    -0.04  -0.01  -0.00
    14   1     0.17   0.03   0.01     0.07   0.01   0.01     0.29   0.06   0.02
    15   1     0.08   0.25   0.04    -0.30   0.67   0.15    -0.03   0.39   0.10
    16   6     0.01   0.01  -0.03    -0.02   0.03  -0.05     0.01   0.03  -0.04
    17   1     0.05  -0.32  -0.12     0.01   0.43   0.07     0.04  -0.10  -0.08
    18   1    -0.05   0.33   0.04     0.04  -0.10  -0.01     0.03   0.60   0.07
    19   1    -0.16  -0.01  -0.07     0.21  -0.02   0.08    -0.29   0.03  -0.11
    20   1     0.62   0.10   0.15    -0.26  -0.01  -0.05     0.18  -0.01   0.02
    21   1    -0.03  -0.06  -0.02     0.04  -0.12  -0.07    -0.02  -0.08  -0.03
    22   1    -0.01  -0.01   0.07    -0.03   0.06   0.14    -0.02  -0.03   0.10
    23   1    -0.03   0.08   0.07     0.03   0.09   0.14     0.00   0.10   0.11
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1364.5949              1386.1675              1411.6753
 Red. masses --      1.4565                 1.3889                 1.3030
 Frc consts  --      1.5979                 1.5723                 1.5299
 IR Inten    --      8.8509                 5.2948                 5.0977
 RamAct Fr= 1--      7.3693                 3.3128                 1.8683
  Dep-P Fr= 1--      0.2915                 0.4304                 0.2512
  Dep-U Fr= 1--      0.4514                 0.6018                 0.4015
 Alpha2 Fr= 1--      0.0775                 0.0219                 0.0221
 Beta2  Fr= 1--      0.5544                 0.3323                 0.1250
 AlphaG Fr= 1--      0.0383                -0.0529                 0.0421
 Gamma2 Fr= 1--      1.5134                 0.8909                -0.0947
 Delta2 Fr= 1--      1.0023                 0.8967                -0.0259
 Raman1 Fr= 1--      29.477                 13.251                  7.473
 ROA1   Fr= 1--     177.364                114.223                 -9.921
 CID1   Fr= 1--       6.017                  8.620                 -1.328
 Raman2 Fr= 1--       6.653                  3.987                  1.500
 ROA2   Fr= 1--      28.304                 14.209                 -2.066
 CID2   Fr= 1--       4.254                  3.564                 -1.377
 Raman3 Fr= 1--      13.306                  7.974                  3.000
 ROA3   Fr= 1--     177.364                114.223                 -9.921
 CID3   Fr= 1--      13.330                 14.324                 -3.306
 RC180  Fr= 1--      -0.097                  0.204                 -0.197
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.00     0.03  -0.02   0.01    -0.01   0.00  -0.00
     2   6     0.00  -0.01   0.00     0.01   0.05  -0.01     0.00   0.03  -0.00
     3   6     0.02   0.00   0.00    -0.06  -0.02  -0.00    -0.02  -0.01   0.00
     4   6     0.06   0.01  -0.02     0.02   0.03  -0.01     0.00  -0.00  -0.00
     5   6    -0.01  -0.00   0.00     0.05  -0.01   0.01     0.02  -0.01   0.01
     6   6    -0.02   0.00  -0.00    -0.03  -0.02   0.00     0.01  -0.00   0.00
     7   6    -0.17  -0.01  -0.01    -0.02  -0.06  -0.02    -0.01   0.04   0.01
     8   6     0.03  -0.01   0.02     0.03   0.07  -0.00    -0.02  -0.06  -0.01
     9   8     0.02  -0.01   0.02    -0.02   0.04   0.01     0.01   0.02  -0.00
    10   6     0.01   0.01  -0.01    -0.08  -0.05  -0.01    -0.07  -0.03  -0.01
    11   1    -0.12   0.09  -0.03     0.02  -0.01   0.00     0.06  -0.07   0.01
    12   1     0.03   0.08  -0.01    -0.03  -0.10   0.01    -0.04  -0.13   0.02
    13   1    -0.17  -0.05  -0.02     0.11   0.03   0.00     0.14   0.03  -0.00
    14   1     0.08   0.03  -0.00    -0.00  -0.01   0.00    -0.12  -0.04  -0.00
    15   1     0.68   0.12  -0.15     0.15   0.22  -0.01    -0.02  -0.10  -0.00
    16   6     0.05  -0.01   0.00    -0.00   0.03   0.01     0.03  -0.09  -0.05
    17   1     0.11   0.49   0.00    -0.04  -0.31   0.02     0.04   0.26  -0.04
    18   1    -0.10  -0.20   0.01    -0.13  -0.52  -0.04     0.11   0.25   0.00
    19   1    -0.04  -0.03   0.02     0.52   0.10   0.08     0.34   0.10   0.01
    20   1    -0.12  -0.03  -0.03     0.38   0.12   0.10     0.28   0.13   0.08
    21   1    -0.17   0.01   0.05    -0.00  -0.12  -0.01    -0.17   0.41   0.04
    22   1     0.04  -0.03  -0.01    -0.02  -0.10  -0.02     0.06   0.33   0.23
    23   1    -0.15   0.09  -0.05     0.04  -0.03  -0.06    -0.20   0.22   0.28
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1421.9702              1484.8278              1490.8747
 Red. masses --      1.2896                 1.5869                 1.1700
 Frc consts  --      1.5363                 2.0614                 1.5322
 IR Inten    --     12.7282                 9.5658                 0.6228
 RamAct Fr= 1--      3.1019                 3.1162                14.4856
  Dep-P Fr= 1--      0.3542                 0.3709                 0.6442
  Dep-U Fr= 1--      0.5231                 0.5411                 0.7836
 Alpha2 Fr= 1--      0.0269                 0.0255                 0.0276
 Beta2  Fr= 1--      0.2704                 0.2810                 1.8919
 AlphaG Fr= 1--      0.0446                -0.0385                -0.0434
 Gamma2 Fr= 1--     -0.6850                -1.3621                -1.7854
 Delta2 Fr= 1--     -0.1244                 2.8297                -2.6052
 Raman1 Fr= 1--      12.407                 12.465                 57.942
 ROA1   Fr= 1--     -69.738                -40.214               -254.762
 CID1   Fr= 1--      -5.621                 -3.226                 -4.397
 Raman2 Fr= 1--       3.245                  3.372                 22.702
 ROA2   Fr= 1--     -15.445                -55.329                -22.008
 CID2   Fr= 1--      -4.760                -16.407                 -0.969
 Raman3 Fr= 1--       6.490                  6.744                 45.405
 ROA3   Fr= 1--     -69.738                -40.214               -254.762
 CID3   Fr= 1--     -10.746                 -5.963                 -5.611
 RC180  Fr= 1--       0.046                  0.082                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.10  -0.05   0.01    -0.04   0.03  -0.01
     2   6     0.00   0.01  -0.00    -0.06  -0.08   0.01     0.03   0.03  -0.00
     3   6    -0.01  -0.01   0.00     0.00   0.06  -0.01    -0.01  -0.03   0.00
     4   6     0.02  -0.00   0.00    -0.07  -0.06   0.00     0.03   0.01   0.00
     5   6     0.01  -0.00   0.00     0.09   0.00   0.01    -0.04   0.02  -0.00
     6   6     0.01   0.00   0.00    -0.05   0.05  -0.01     0.00  -0.03   0.00
     7   6    -0.02   0.04   0.01     0.01   0.02   0.00     0.00  -0.00  -0.00
     8   6    -0.03  -0.09  -0.01     0.00  -0.00   0.00     0.03   0.01  -0.02
     9   8     0.02   0.01  -0.00     0.00  -0.01   0.00     0.01  -0.02   0.00
    10   6    -0.06  -0.03  -0.01    -0.03  -0.05   0.01     0.03  -0.06   0.02
    11   1     0.04  -0.05   0.01    -0.26   0.32  -0.06     0.12  -0.13   0.03
    12   1    -0.02  -0.08   0.01     0.08   0.40  -0.05    -0.01  -0.14   0.02
    13   1     0.01  -0.00   0.00    -0.09   0.05  -0.01     0.09  -0.00   0.01
    14   1    -0.07  -0.02  -0.00     0.12   0.10  -0.01     0.03  -0.02   0.00
    15   1    -0.01  -0.11  -0.01    -0.00  -0.01   0.00    -0.01   0.00  -0.00
    16   6    -0.02   0.07   0.05    -0.02  -0.02   0.01     0.01   0.01  -0.01
    17   1     0.04   0.41   0.01     0.01   0.03   0.01    -0.09  -0.01   0.31
    18   1     0.09   0.40   0.02    -0.02   0.01   0.00    -0.32   0.04   0.00
    19   1     0.26   0.08  -0.00     0.08   0.23  -0.34    -0.10   0.26  -0.50
    20   1     0.21   0.12   0.06    -0.08   0.38   0.12    -0.25   0.50   0.13
    21   1     0.15  -0.37  -0.03     0.33   0.10  -0.06    -0.17  -0.04   0.03
    22   1    -0.05  -0.32  -0.26     0.02   0.05  -0.27    -0.01  -0.00   0.14
    23   1     0.16  -0.20  -0.27    -0.03   0.08   0.19     0.00  -0.04  -0.09
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1497.0047              1505.6821              1507.0240
 Red. masses --      1.1296                 1.1965                 1.0544
 Frc consts  --      1.4915                 1.5983                 1.4109
 IR Inten    --      0.2991                 5.3570                 9.9638
 RamAct Fr= 1--      1.9186                 6.4135                 6.3292
  Dep-P Fr= 1--      0.5898                 0.5322                 0.6138
  Dep-U Fr= 1--      0.7420                 0.6947                 0.7607
 Alpha2 Fr= 1--      0.0057                 0.0270                 0.0158
 Beta2  Fr= 1--      0.2373                 0.7425                 0.8024
 AlphaG Fr= 1--     -0.0034                -0.0328                -0.0293
 Gamma2 Fr= 1--     -0.6976                 5.1055                -0.3812
 Delta2 Fr= 1--     -0.8412                 1.0516                -0.7138
 Raman1 Fr= 1--       7.674                 25.654                 25.317
 ROA1   Fr= 1--     -93.892                523.777                -59.435
 CID1   Fr= 1--     -12.234                 20.417                 -2.348
 Raman2 Fr= 1--       2.847                  8.911                  9.629
 ROA2   Fr= 1--     -10.014                114.118                 -3.438
 CID2   Fr= 1--      -3.517                 12.807                 -0.357
 Raman3 Fr= 1--       5.694                 17.821                 19.258
 ROA3   Fr= 1--     -93.892                523.777                -59.435
 CID3   Fr= 1--     -16.489                 29.391                 -3.086
 RC180  Fr= 1--       0.484                  0.389                  0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00     0.05  -0.01   0.00     0.00   0.01  -0.00
     2   6     0.02   0.04  -0.00    -0.03  -0.04   0.00     0.00  -0.01   0.00
     3   6     0.01  -0.02   0.00    -0.02   0.02  -0.00    -0.01  -0.00  -0.00
     4   6     0.02   0.02  -0.00    -0.03  -0.03   0.00     0.02  -0.01   0.00
     5   6    -0.03  -0.00  -0.00     0.04   0.00   0.00     0.00   0.01  -0.00
     6   6     0.02  -0.02   0.00    -0.01   0.02  -0.00    -0.01  -0.00  -0.00
     7   6    -0.03  -0.02   0.01     0.03   0.02  -0.00    -0.03   0.01  -0.01
     8   6     0.04   0.00  -0.03     0.05  -0.02  -0.04     0.01  -0.01  -0.01
     9   8     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    10   6     0.00   0.02  -0.01    -0.03   0.02  -0.01    -0.00   0.00  -0.00
    11   1     0.06  -0.09   0.02    -0.08   0.12  -0.02     0.01  -0.00   0.00
    12   1    -0.03  -0.14   0.02     0.03   0.17  -0.02     0.01   0.02  -0.00
    13   1     0.02  -0.02   0.00     0.00   0.03  -0.01    -0.00   0.00   0.01
    14   1    -0.06  -0.04   0.00     0.04   0.04  -0.00     0.03   0.01   0.00
    15   1     0.03   0.04   0.01    -0.07  -0.04   0.01     0.04  -0.04  -0.04
    16   6    -0.03  -0.02   0.02     0.02   0.00  -0.00    -0.03   0.01  -0.04
    17   1    -0.08   0.02   0.33    -0.13   0.04   0.52    -0.02   0.06   0.12
    18   1    -0.34   0.07  -0.01    -0.51   0.18  -0.00    -0.14   0.01  -0.00
    19   1    -0.02  -0.07   0.10     0.05  -0.11   0.23     0.00  -0.03   0.05
    20   1     0.04  -0.11  -0.04     0.13  -0.22  -0.06     0.02  -0.05  -0.02
    21   1     0.52   0.09  -0.10    -0.28  -0.12   0.05     0.06   0.42  -0.01
    22   1     0.05   0.11  -0.49     0.01   0.09   0.22    -0.12  -0.49   0.21
    23   1    -0.15   0.19   0.27    -0.07  -0.05  -0.21     0.54  -0.14   0.38
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1531.2302              1623.3778              1651.4779
 Red. masses --      2.3410                 6.3282                 5.7243
 Frc consts  --      3.2340                 9.8259                 9.1985
 IR Inten    --     17.3230                 1.5700                 1.8715
 RamAct Fr= 1--      0.9619                15.0126                32.7628
  Dep-P Fr= 1--      0.5948                 0.4459                 0.7252
  Dep-U Fr= 1--      0.7460                 0.6167                 0.8407
 Alpha2 Fr= 1--      0.0028                 0.0936                 0.0140
 Beta2  Fr= 1--      0.1196                 1.5432                 4.5905
 AlphaG Fr= 1--      0.0039                 0.0068                 0.0072
 Gamma2 Fr= 1--     -2.1887                -0.9570                 1.1904
 Delta2 Fr= 1--      0.3685                 0.6500                -2.2349
 Raman1 Fr= 1--       3.848                 60.050                131.051
 ROA1   Fr= 1--    -198.327                -71.070                 42.758
 CID1   Fr= 1--     -51.544                 -1.184                  0.326
 Raman2 Fr= 1--       1.435                 18.518                 55.086
 ROA2   Fr= 1--     -55.478                -28.167                 46.448
 CID2   Fr= 1--     -38.657                 -1.521                  0.843
 Raman3 Fr= 1--       2.870                 37.036                110.173
 ROA3   Fr= 1--    -198.327                -71.070                 42.758
 CID3   Fr= 1--     -69.098                 -1.919                  0.388
 RC180  Fr= 1--       0.492                  0.233                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.10  -0.01     0.16  -0.29   0.05     0.22  -0.04   0.02
     2   6     0.06  -0.07   0.01     0.02   0.35  -0.05    -0.17  -0.12   0.01
     3   6    -0.15  -0.05  -0.00    -0.02   0.15  -0.02    -0.33  -0.06  -0.01
     4   6     0.12  -0.10   0.02     0.00  -0.30   0.05     0.20   0.08   0.00
     5   6     0.04   0.15  -0.02    -0.13   0.28  -0.05    -0.24  -0.01  -0.02
     6   6    -0.15  -0.04  -0.00     0.02  -0.16   0.02     0.33   0.10   0.01
     7   6    -0.03   0.03  -0.00     0.01   0.04  -0.01    -0.03  -0.01  -0.00
     8   6    -0.01  -0.01   0.00     0.00  -0.01   0.00    -0.01  -0.00  -0.00
     9   8    -0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.02   0.00     0.02  -0.03   0.00     0.04   0.00   0.00
    11   1     0.26  -0.13   0.04    -0.36   0.21  -0.06    -0.08   0.27  -0.04
    12   1     0.15   0.19  -0.02    -0.21  -0.40   0.04    -0.09   0.24  -0.04
    13   1     0.56   0.13   0.01    -0.13   0.13  -0.03     0.42   0.13   0.01
    14   1     0.52   0.14   0.02     0.02  -0.17   0.02    -0.45  -0.10  -0.02
    15   1    -0.05   0.00   0.01    -0.07  -0.02   0.00    -0.00   0.02   0.00
    16   6    -0.00  -0.01   0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    17   1     0.03   0.04  -0.09     0.02   0.05  -0.02     0.00   0.02  -0.03
    18   1     0.09   0.01   0.00     0.01   0.00   0.01     0.03   0.01   0.00
    19   1    -0.10  -0.12   0.10    -0.15  -0.12   0.05    -0.07  -0.01  -0.04
    20   1    -0.04  -0.14  -0.04    -0.08  -0.09  -0.03    -0.04   0.04   0.01
    21   1     0.09  -0.03  -0.02    -0.01  -0.01  -0.00     0.03  -0.00  -0.00
    22   1     0.02   0.08  -0.11    -0.01   0.00   0.03     0.00  -0.02  -0.05
    23   1    -0.09   0.05   0.01     0.03  -0.04  -0.03    -0.01   0.02   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   2943.1833              2955.3258              3002.0960
 Red. masses --      1.0729                 1.0712                 1.0818
 Frc consts  --      5.4755                 5.5125                 5.7445
 IR Inten    --     46.0850                57.4248                20.8847
 RamAct Fr= 1--    164.9822               166.4409               129.2744
  Dep-P Fr= 1--      0.2082                 0.1030                 0.2299
  Dep-U Fr= 1--      0.3446                 0.1867                 0.3739
 Alpha2 Fr= 1--      2.1921                 2.8931                 1.6196
 Beta2  Fr= 1--      9.4767                 5.1786                 8.0563
 AlphaG Fr= 1--     -3.0532                 0.3007                -0.4963
 Gamma2 Fr= 1--    -16.6489                15.9745                 0.3909
 Delta2 Fr= 1--     -6.0579                 8.9878                -1.9669
 Raman1 Fr= 1--     659.929                665.764                517.098
 ROA1   Fr= 1--   -1792.148               1821.165                -25.415
 CID1   Fr= 1--      -2.716                  2.735                 -0.049
 Raman2 Fr= 1--     113.720                 62.144                 96.675
 ROA2   Fr= 1--    -351.110                311.486                 25.116
 CID2   Fr= 1--      -3.087                  5.012                  0.260
 Raman3 Fr= 1--     227.441                124.287                193.351
 ROA3   Fr= 1--   -1792.148               1821.165                -25.415
 CID3   Fr= 1--      -7.880                 14.653                 -0.131
 RC180  Fr= 1--      -0.311                 -0.627                 -0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.01   0.01  -0.08
     8   6    -0.00  -0.00   0.01     0.01   0.01  -0.07     0.01  -0.00  -0.01
     9   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.01   0.03  -0.07     0.00   0.00  -0.01    -0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.01    -0.03   0.02  -0.16     0.17  -0.12   0.95
    16   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
    17   1     0.03  -0.00   0.01    -0.14   0.03  -0.06    -0.10   0.02  -0.03
    18   1    -0.01   0.02  -0.16     0.02  -0.05   0.96     0.00  -0.01   0.14
    19   1     0.04  -0.08  -0.08     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    20   1    -0.13  -0.27   0.93    -0.01  -0.05   0.15    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00    -0.00   0.00  -0.02    -0.03   0.01  -0.11
    22   1    -0.00  -0.00   0.00     0.02  -0.00   0.00    -0.01  -0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.01  -0.01   0.01     0.01   0.01  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3033.7530              3077.7035              3085.3437
 Red. masses --      1.0372                 1.0880                 1.0944
 Frc consts  --      5.6244                 6.0722                 6.1383
 IR Inten    --     30.6994                23.2431                 8.1161
 RamAct Fr= 1--    179.3736               117.9739                76.4703
  Dep-P Fr= 1--      0.0381                 0.3546                 0.1455
  Dep-U Fr= 1--      0.0733                 0.5236                 0.2540
 Alpha2 Fr= 1--      3.6450                 1.0203                 1.1957
 Beta2  Fr= 1--      2.1924                10.2943                 3.2377
 AlphaG Fr= 1--      0.3271                 1.9174                 0.0201
 Gamma2 Fr= 1--     -1.1613                 5.0831               -22.7033
 Delta2 Fr= 1--     -1.2350                 2.8481               -16.5873
 Raman1 Fr= 1--     717.494                471.896                305.881
 ROA1   Fr= 1--    -151.002                579.120              -2710.309
 CID1   Fr= 1--      -0.210                  1.227                 -8.861
 Raman2 Fr= 1--      26.309                123.532                 38.852
 ROA2   Fr= 1--     -17.991                 99.210               -412.181
 CID2   Fr= 1--      -0.684                  0.803                -10.609
 Raman3 Fr= 1--      52.619                247.064                 77.705
 ROA3   Fr= 1--    -151.002                579.120              -2710.309
 CID3   Fr= 1--      -2.870                  2.344                -34.880
 RC180  Fr= 1--      -0.853                  0.047                 -0.492
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.07   0.01  -0.03
     9   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00   0.00     0.02  -0.06  -0.05     0.00  -0.01  -0.01
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1    -0.00   0.02  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.00   0.00     0.00  -0.03   0.00     0.00  -0.01   0.00
    15   1    -0.01   0.01  -0.05    -0.00   0.00  -0.01     0.00  -0.01   0.02
    16   6    -0.03   0.03   0.03    -0.00  -0.00  -0.00     0.04  -0.00   0.03
    17   1    -0.01   0.00  -0.00    -0.11   0.02  -0.03     0.80  -0.12   0.26
    18   1     0.00   0.00  -0.04     0.00   0.00  -0.02    -0.01  -0.01   0.12
    19   1     0.00  -0.00  -0.00    -0.27   0.79   0.53    -0.03   0.09   0.06
    20   1     0.00   0.00  -0.00    -0.01  -0.04   0.09    -0.00  -0.00   0.00
    21   1    -0.14   0.05  -0.60     0.00  -0.00   0.02    -0.07   0.03  -0.35
    22   1     0.65  -0.10   0.07     0.02  -0.00   0.00    -0.34   0.05  -0.03
    23   1    -0.20  -0.31   0.16     0.00   0.00  -0.00    -0.02  -0.05   0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3091.4980              3111.5536              3154.1730
 Red. masses --      1.0994                 1.0993                 1.0874
 Frc consts  --      6.1906                 6.2706                 6.3741
 IR Inten    --     62.9792                20.7694                10.4515
 RamAct Fr= 1--    196.6329                42.4982                85.1148
  Dep-P Fr= 1--      0.4720                 0.6058                 0.3868
  Dep-U Fr= 1--      0.6413                 0.7545                 0.5578
 Alpha2 Fr= 1--      1.1002                 0.1131                 0.6606
 Beta2  Fr= 1--     21.0174                 5.3443                 7.9128
 AlphaG Fr= 1--     -0.1041                -0.4411                -0.0620
 Gamma2 Fr= 1--     29.8484                -4.0137                -2.4414
 Delta2 Fr= 1--     18.5910                 0.1106                 0.7434
 Raman1 Fr= 1--     786.531                169.993                340.459
 ROA1   Fr= 1--    3460.360               -381.777               -210.584
 CID1   Fr= 1--       4.400                 -2.246                 -0.619
 Raman2 Fr= 1--     252.209                 64.132                 94.953
 ROA2   Fr= 1--     567.635                -97.213                -64.540
 CID2   Fr= 1--       2.251                 -1.516                 -0.680
 Raman3 Fr= 1--     504.418                128.263                189.907
 ROA3   Fr= 1--    3460.360               -381.777               -210.584
 CID3   Fr= 1--       6.860                 -2.977                 -1.109
 RC180  Fr= 1--       0.283                  0.509                  0.116
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02  -0.08   0.01
     7   6    -0.00   0.00  -0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     8   6    -0.04   0.01  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.08  -0.08   0.01
    12   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.30  -0.09   0.03
    13   1     0.00  -0.01   0.00     0.02  -0.08   0.01    -0.01   0.05  -0.01
    14   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.23   0.90  -0.14
    15   1     0.02  -0.01   0.11    -0.01   0.01  -0.06     0.00  -0.00   0.00
    16   6    -0.07   0.00  -0.04    -0.04  -0.06   0.06    -0.00  -0.00   0.00
    17   1     0.46  -0.07   0.15    -0.03   0.00  -0.01     0.00  -0.00   0.00
    18   1    -0.01  -0.01   0.09     0.00   0.00  -0.02    -0.00   0.00  -0.00
    19   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.01   0.02   0.01
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1     0.11  -0.04   0.55    -0.10   0.01  -0.37    -0.00   0.00  -0.00
    22   1     0.62  -0.11   0.05     0.16  -0.04   0.03     0.00  -0.00   0.00
    23   1     0.06   0.12  -0.07     0.44   0.71  -0.34     0.00   0.01  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3171.3889              3184.4470              3194.9557
 Red. masses --      1.0866                 1.0911                 1.0965
 Frc consts  --      6.4390                 6.5189                 6.5946
 IR Inten    --      2.2160                23.2652                18.5988
 RamAct Fr= 1--     92.5691                71.7680               290.3347
  Dep-P Fr= 1--      0.6863                 0.6406                 0.1000
  Dep-U Fr= 1--      0.8139                 0.7809                 0.1819
 Alpha2 Fr= 1--      0.1037                 0.1418                 5.0829
 Beta2  Fr= 1--     12.5576                 9.3412                 8.8003
 AlphaG Fr= 1--     -0.0300                -0.0422                 0.4924
 Gamma2 Fr= 1--      0.3873                -2.8888                 7.2826
 Delta2 Fr= 1--     -1.9214                -4.3285                 3.9280
 Raman1 Fr= 1--     370.276                287.072               1161.339
 ROA1   Fr= 1--     -24.306               -415.841                824.822
 CID1   Fr= 1--      -0.066                 -1.449                  0.710
 Raman2 Fr= 1--     150.691                112.094                105.604
 ROA2   Fr= 1--      24.666                -34.704                143.358
 CID2   Fr= 1--       0.164                 -0.310                  1.358
 Raman3 Fr= 1--     301.382                224.188                211.208
 ROA3   Fr= 1--     -24.306               -415.841                824.822
 CID3   Fr= 1--      -0.081                 -1.855                  3.905
 RC180  Fr= 1--       0.628                  0.562                 -0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.04   0.00    -0.00   0.00  -0.00    -0.04  -0.04   0.00
     2   6     0.03  -0.01   0.00     0.06  -0.01   0.01    -0.05   0.01  -0.01
     3   6    -0.01   0.04  -0.01     0.01  -0.06   0.01     0.01  -0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.00     0.00  -0.02   0.00    -0.00   0.01  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.53   0.53  -0.04     0.03   0.02  -0.00     0.46   0.45  -0.04
    12   1    -0.36   0.10  -0.04    -0.66   0.18  -0.07     0.51  -0.14   0.05
    13   1     0.11  -0.46   0.07    -0.16   0.67  -0.11    -0.13   0.50  -0.08
    14   1    -0.06   0.23  -0.04    -0.04   0.19  -0.03     0.03  -0.13   0.02
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    22   1    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    23   1    -0.02  -0.04   0.02     0.03   0.04  -0.02     0.02   0.03  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Molecular mass:   148.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   996.891241706.956472592.86493
           X            0.99875  -0.04963  -0.00662
           Y            0.04959   0.99875  -0.00625
           Z            0.00693   0.00591   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.08688     0.05074     0.03340
 Rotational constants (GHZ):           1.81037     1.05729     0.69604
 Zero-point vibrational energy     518372.1 (Joules/Mol)
                                  123.89391 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    100.88   178.03   289.14   333.10   404.71
          (Kelvin)            456.64   552.24   577.09   625.93   652.18
                              721.48   770.40   851.29   950.30  1044.12
                             1079.58  1110.27  1206.95  1263.91  1309.32
                             1356.02  1382.71  1387.95  1410.33  1474.39
                             1511.09  1537.60  1606.99  1620.57  1648.36
                             1676.85  1710.78  1762.36  1774.98  1804.88
                             1867.82  1891.87  1903.98  1922.57  1963.35
                             1994.39  2031.09  2045.90  2136.34  2145.04
                             2153.86  2166.34  2168.27  2203.10  2335.68
                             2376.11  4234.58  4252.05  4319.35  4364.89
                             4428.13  4439.12  4447.98  4476.83  4538.15
                             4562.92  4581.71  4596.83
 
 Zero-point correction=                           0.197438 (Hartree/Particle)
 Thermal correction to Energy=                    0.206535
 Thermal correction to Enthalpy=                  0.207479
 Thermal correction to Gibbs Free Energy=         0.163309
 Sum of electronic and zero-point Energies=           -463.528572
 Sum of electronic and thermal Energies=              -463.519474
 Sum of electronic and thermal Enthalpies=            -463.518530
 Sum of electronic and thermal Free Energies=         -463.562700
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  129.603             36.702             92.964
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.888
 Rotational               0.889              2.981             29.868
 Vibrational            127.825             30.741             22.207
 Vibration     1          0.598              1.968              4.150
 Vibration     2          0.610              1.929              3.041
 Vibration     3          0.638              1.839              2.124
 Vibration     4          0.653              1.793              1.867
 Vibration     5          0.681              1.708              1.526
 Vibration     6          0.704              1.640              1.324
 Vibration     7          0.753              1.505              1.024
 Vibration     8          0.767              1.468              0.959
 Vibration     9          0.796              1.394              0.842
 Vibration    10          0.812              1.354              0.786
 Vibration    11          0.857              1.247              0.654
 Vibration    12          0.890              1.172              0.575
 Vibration    13          0.949              1.050              0.464
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.764065D-75        -75.116869       -172.962984
 Total V=0       0.498886D+16         15.698001         36.145984
 Vib (Bot)       0.143457D-88        -88.843277       -204.569206
 Vib (Bot)    1  0.294147D+01          0.468564          1.078909
 Vib (Bot)    2  0.165007D+01          0.217502          0.500817
 Vib (Bot)    3  0.991825D+00         -0.003565         -0.008209
 Vib (Bot)    4  0.850166D+00         -0.070496         -0.162323
 Vib (Bot)    5  0.683037D+00         -0.165556         -0.381206
 Vib (Bot)    6  0.593222D+00         -0.226783         -0.522187
 Vib (Bot)    7  0.469794D+00         -0.328093         -0.755462
 Vib (Bot)    8  0.444011D+00         -0.352607         -0.811907
 Vib (Bot)    9  0.398928D+00         -0.399106         -0.918975
 Vib (Bot)   10  0.377304D+00         -0.423309         -0.974705
 Vib (Bot)   11  0.327326D+00         -0.485019         -1.116797
 Vib (Bot)   12  0.297159D+00         -0.527011         -1.213488
 Vib (Bot)   13  0.254524D+00         -0.594271         -1.368359
 Vib (V=0)       0.936685D+02          1.971593          4.539761
 Vib (V=0)    1  0.348366D+01          0.542036          1.248084
 Vib (V=0)    2  0.222416D+01          0.347166          0.799380
 Vib (V=0)    3  0.161073D+01          0.207022          0.476686
 Vib (V=0)    4  0.148630D+01          0.172106          0.396288
 Vib (V=0)    5  0.134649D+01          0.129202          0.297499
 Vib (V=0)    6  0.127583D+01          0.105793          0.243597
 Vib (V=0)    7  0.118608D+01          0.074114          0.170654
 Vib (V=0)    8  0.116869D+01          0.067699          0.155883
 Vib (V=0)    9  0.113964D+01          0.056769          0.130715
 Vib (V=0)   10  0.112638D+01          0.051687          0.119013
 Vib (V=0)   11  0.109761D+01          0.040450          0.093139
 Vib (V=0)   12  0.108164D+01          0.034082          0.078477
 Vib (V=0)   13  0.106105D+01          0.025738          0.059264
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.708333D+08          7.850237         18.075839
 Rotational      0.751918D+06          5.876171         13.530383
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333 33 22                                                111111111111111111111111111                                         
   11111000 00 99                                                66555444443333322221111100099999 88  777 6  5 5 54443  32 2 2  1    
   98751987 30 54                                                52300998218632195328642165286641 73  752 6  9 3 05308  18 3 0  2 7  
   54142158 42 53                                                13176715226563584459566790505120 89  206 0  2 5 13514  71 2 1  4 0  
 
   XXXXXXXX XX XX                                                XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX  XXX X  X X XXXXX  XX X X  X X  
   XX XXXXX XX XX                                                  XXX  XXXXX    XXX X XXX XX   X     XX  X       X     X            
   XX XXXXX XX XX                                                  XX   XX  X      X X XX   X         XX  X             X            
   XX  XX X XX XX                                                  X     X           X XX   X         XX                             
   XX  XX X XX XX                                                  X                 X XX   X         XX                             
   XX  XX X XX XX                                                  X                 X X    X         XX                             
    X  XX X XX XX                                                                    X X    X         XX                             
        X   X  XX                                                                    X X    X         XX                             
        X   X  XX                                                                    X X    X         XX                             
        X   X  XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      X                                                                                                                     
        X      X                                                                                                                     
        X      X                                                                                                                     
        X                                                                                                                            
        X                                                                                                                            
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004218    0.000004745    0.000001186
      2        6          -0.000007317   -0.000004185    0.000007188
      3        6           0.000006418    0.000005191   -0.000000002
      4        6          -0.000003848   -0.000018129   -0.000008891
      5        6          -0.000014837    0.000006187    0.000007287
      6        6           0.000005951   -0.000000329    0.000000316
      7        6           0.000013141   -0.000007310   -0.000006620
      8        6           0.000003784    0.000003142   -0.000004274
      9        8          -0.000001841    0.000006961    0.000002894
     10        6           0.000001161   -0.000003390   -0.000004001
     11        1           0.000000120   -0.000000713    0.000000954
     12        1           0.000000159    0.000001738   -0.000000653
     13        1           0.000005766    0.000006870   -0.000003767
     14        1           0.000001115    0.000000981    0.000000294
     15        1           0.000000325    0.000002779   -0.000001671
     16        6           0.000001535   -0.000002629    0.000003609
     17        1           0.000000673   -0.000000673    0.000000325
     18        1          -0.000005606    0.000000359    0.000006161
     19        1           0.000002518   -0.000001241    0.000000665
     20        1           0.000000710    0.000002136   -0.000000428
     21        1          -0.000000854   -0.000002980    0.000000750
     22        1           0.000000353    0.000000064   -0.000000684
     23        1          -0.000005207    0.000000426   -0.000000639
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018129 RMS     0.000004906
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149952D+03 -0.259750D+01  0.945127D+00
      2  -0.259750D+01  0.132912D+03 -0.481835D+01
      3   0.945127D+00 -0.481835D+01  0.824686D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.453600D+01  0.221191D+00 -0.114989D+02
      2   0.581335D+01 -0.126028D+02 -0.462508D+01
      3   0.750274D+01 -0.469652D+02  0.985488D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.133111D+03  0.844779D+01 -0.562215D+01
      2  -0.704842D+02  0.179186D+02 -0.134374D+02
      3  -0.626271D+02 -0.263664D+02  0.190595D+02
      4   0.565643D+02  0.597972D+02 -0.190399D+02
      5   0.161476D+02 -0.195434D+02 -0.169191D+02
      6  -0.552023D+01  0.119692D+02  0.182768D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.913178D+00  0.168891D+01 -0.652016D+00  0.503683D+01 -0.805398D+00
      2   0.168891D+01  0.178038D+01 -0.222441D+00 -0.805398D+00  0.236351D+01
      3  -0.652016D+00 -0.222441D+00  0.162835D+01  0.987824D+00  0.323859D+00
                 6             7             8             9            10 
      1   0.987824D+00 -0.105473D+01  0.633927D+00  0.396968D+01  0.509941D+01
      2   0.323859D+00  0.633927D+00  0.795078D+00  0.320825D+01 -0.903105D+00
      3   0.157009D+01  0.396968D+01  0.320825D+01 -0.670398D+00 -0.258139D+00
                11            12            13            14            15 
      1  -0.903105D+00 -0.258139D+00 -0.182715D+01 -0.184305D+01  0.878698D+00
      2   0.257556D+01 -0.621346D-02 -0.184305D+01 -0.273332D+01  0.119050D+00
      3  -0.621346D-02  0.199918D+01  0.878698D+00  0.119050D+00 -0.582231D+00
                16            17            18            19            20 
      1  -0.191589D+00  0.940557D+00  0.525070D+01  0.145364D+01 -0.499654D+01
      2   0.940557D+00  0.244906D+00 -0.123089D+01 -0.499654D+01 -0.853028D+00
      3   0.525070D+01 -0.123089D+01  0.987968D+00  0.669665D+00 -0.186512D+00
                21            22            23            24            25 
      1   0.669665D+00  0.496648D+01 -0.129094D+01  0.135443D+00 -0.738791D-01
      2  -0.186512D+00 -0.129094D+01  0.220971D+01  0.575641D+00 -0.235898D+00
      3  -0.575817D+00  0.135443D+00  0.575641D+00  0.156452D+01 -0.167637D+00
                26            27            28            29            30 
      1  -0.235898D+00 -0.167637D+00 -0.145120D+02  0.512877D+01 -0.163513D+01
      2   0.526491D+00  0.373221D+01  0.512877D+01 -0.494638D+01  0.763008D+00
      3   0.373221D+01 -0.170227D+01 -0.163513D+01  0.763008D+00 -0.146729D+01
                31            32            33            34            35 
      1   0.839157D+01  0.246526D+01 -0.278482D+00 -0.114833D+01 -0.653383D+00
      2   0.246526D+01  0.253940D+01  0.105168D+00 -0.653383D+00 -0.894251D-01
      3  -0.278482D+00  0.105168D+00  0.788016D-01 -0.296489D+01  0.130171D+01
                36            37            38            39            40 
      1  -0.296489D+01 -0.307819D+00 -0.458770D+01  0.602748D+00 -0.132499D+02
      2   0.130171D+01 -0.458770D+01 -0.701810D+01  0.111832D+01 -0.324105D+01
      3  -0.130866D+01  0.602748D+00  0.111832D+01 -0.116245D+01  0.245006D+00
                41            42            43            44            45 
      1  -0.324105D+01  0.245006D+00  0.205368D+01 -0.191950D-01 -0.199969D+01
      2  -0.715825D+01  0.259590D+00 -0.191950D-01 -0.220771D+00 -0.289023D+01
      3   0.259590D+00 -0.757428D+00 -0.199969D+01 -0.289023D+01  0.638660D+00
                46            47            48            49            50 
      1  -0.316682D+01  0.382396D+01 -0.602725D+00 -0.431359D+01  0.553137D+00
      2   0.382396D+01  0.316824D+01 -0.899583D-01  0.553137D+00 -0.470403D+00
      3  -0.602725D+00 -0.899583D-01 -0.265563D-01  0.456474D-01 -0.607818D+00
                51            52            53            54            55 
      1   0.456474D-01  0.891325D-01  0.775113D+00  0.170702D+01  0.364875D+01
      2  -0.607818D+00  0.775113D+00 -0.310310D+00 -0.366943D+01 -0.925766D+00
      3  -0.172752D+01  0.170702D+01 -0.366943D+01  0.136079D+01  0.105004D+01
                56            57            58            59            60 
      1  -0.925766D+00  0.105004D+01 -0.151730D+01  0.431109D+01 -0.488492D+00
      2   0.324715D+01 -0.393132D+00  0.431109D+01 -0.190770D+01 -0.172529D+01
      3  -0.393132D+00  0.172509D+01 -0.488492D+00 -0.172529D+01 -0.965812D+00
                61            62            63            64            65 
      1   0.330246D+01 -0.790692D+00  0.332339D+01  0.712217D+01 -0.187759D+01
      2  -0.790692D+00 -0.194694D+01 -0.140597D+01 -0.187759D+01 -0.227948D+01
      3   0.332339D+01 -0.140597D+01  0.799492D+01  0.168953D+01 -0.150953D-01
                66            67            68            69            70 
      1   0.168953D+01 -0.413354D+01 -0.136006D+01  0.681330D+00  0.203656D+01
      2  -0.150953D-01 -0.136006D+01  0.144140D+01  0.123613D+01  0.116062D+00
      3  -0.515101D-01  0.681330D+00  0.123613D+01 -0.507094D+00  0.190017D+01
                71            72            73            74            75 
      1   0.116062D+00  0.190017D+01 -0.528304D+01 -0.145615D+01 -0.146027D+01
      2   0.157797D+01  0.453749D+00 -0.145615D+01  0.617474D+00 -0.114374D+01
      3   0.453749D+00 -0.760601D+01 -0.146027D+01 -0.114374D+01  0.119245D+00
                76            77            78            79            80 
      1   0.658688D+00 -0.135866D+01 -0.609960D+00 -0.166326D+01  0.321619D+00
      2  -0.135866D+01 -0.512510D+01 -0.134923D+01  0.321619D+00 -0.119313D+01
      3  -0.609960D+00 -0.134923D+01  0.161382D+00 -0.178834D+01 -0.208128D+01
                81            82            83            84            85 
      1  -0.178834D+01  0.334087D+01  0.106232D+01  0.840498D-01  0.181015D+01
      2  -0.208128D+01  0.106232D+01 -0.783615D+00 -0.593403D+00  0.311615D+01
      3  -0.250588D+00  0.840498D-01 -0.593403D+00 -0.296968D-01 -0.142876D+01
                86            87            88            89            90 
      1   0.311615D+01 -0.142876D+01 -0.127764D+01 -0.311338D+01  0.229132D+01
      2   0.915332D+01  0.233669D+00 -0.311338D+01 -0.140662D+01  0.606336D+01
      3   0.233669D+00  0.236192D+01  0.229132D+01  0.606336D+01 -0.521626D+01
                91            92            93            94            95 
      1   0.715031D+01  0.450629D+01 -0.348387D+00  0.453670D+01  0.454547D+01
      2   0.450629D+01  0.340649D+01 -0.195025D+00  0.454547D+01  0.534169D+01
      3  -0.348387D+00 -0.195025D+00  0.640600D+00 -0.507365D+00 -0.489858D+00
                96            97            98            99           100 
      1  -0.507365D+00 -0.250164D+00 -0.369433D+00  0.774294D-01  0.132028D+02
      2  -0.489858D+00 -0.369433D+00 -0.544675D+00  0.136082D+00 -0.252746D+01
      3   0.671595D+00  0.774294D-01  0.136082D+00 -0.828760D-01  0.103450D+01
               101           102           103           104           105 
      1  -0.252746D+01  0.103450D+01 -0.263885D+01  0.217380D+01 -0.422511D+00
      2   0.121961D+01 -0.180321D+00  0.217380D+01 -0.112893D+01  0.236581D+00
      3  -0.180321D+00  0.939735D+00 -0.422511D+00  0.236581D+00 -0.297131D+00
               106           107           108           109           110 
      1   0.111503D+01 -0.484878D+00  0.170024D+00 -0.103431D+01  0.153336D+01
      2  -0.484878D+00  0.133786D+00 -0.834076D-01  0.153336D+01 -0.995370D+00
      3   0.170024D+00 -0.834076D-01  0.129335D+00 -0.105798D+00  0.149722D+00
               111           112           113           114           115 
      1  -0.105798D+00  0.139474D+01 -0.106673D+01  0.821716D-01 -0.259530D+00
      2   0.149722D+00 -0.106673D+01  0.898480D+01 -0.138910D+01  0.261222D+00
      3  -0.807492D-01  0.821716D-01 -0.138910D+01  0.967447D+00  0.612702D-01
               116           117           118           119           120 
      1   0.261222D+00  0.612702D-01  0.149667D+01 -0.202258D+01  0.300415D+00
      2  -0.153997D+01  0.305963D+00 -0.202258D+01  0.224772D+01 -0.349867D+00
      3   0.305963D+00 -0.296712D+00  0.300415D+00 -0.349867D+00  0.364164D+00
               121           122           123           124           125 
      1  -0.203611D+01  0.302469D+01 -0.432034D+00  0.480004D+00 -0.454639D+00
      2   0.302469D+01 -0.992175D+01  0.127535D+01 -0.454639D+00  0.139223D+01
      3  -0.432034D+00  0.127535D+01 -0.982437D+00  0.201526D+00 -0.379225D+00
               126           127           128           129           130 
      1   0.201526D+00 -0.250744D+01  0.365054D+00 -0.190215D+01  0.908868D+00
      2  -0.379225D+00  0.365054D+00 -0.759743D+00  0.336946D+00 -0.180769D+01
      3   0.236655D+00 -0.190215D+01  0.336946D+00 -0.168266D+01  0.463488D+00
               131           132           133           134           135 
      1  -0.180769D+01  0.463488D+00 -0.521081D+01  0.146630D+01 -0.341919D+01
      2   0.148725D+01 -0.102304D+01  0.146630D+01 -0.161371D+01  0.148481D+01
      3  -0.102304D+01  0.851084D+00 -0.341919D+01  0.148481D+01 -0.884961D+01
               136           137           138           139           140 
      1   0.829921D+01 -0.344299D+01  0.932828D+00 -0.388265D+00 -0.361781D+01
      2  -0.344299D+01 -0.216254D+01  0.850925D-01 -0.361781D+01  0.417945D+00
      3   0.932828D+00  0.850925D-01 -0.172583D+01  0.499100D-01  0.283440D+01
               141           142           143           144           145 
      1   0.499100D-01  0.168808D+01 -0.867509D+00 -0.143731D+01 -0.121112D+02
      2   0.283440D+01 -0.867509D+00  0.380900D+01 -0.224947D+00  0.620423D+00
      3   0.163956D+00 -0.143731D+01 -0.224947D+00 -0.560070D+01 -0.143377D+01
               146           147           148           149           150 
      1   0.620423D+00 -0.143377D+01  0.170353D+01 -0.135040D+01  0.102193D+00
      2  -0.104395D+01  0.393397D-02 -0.135040D+01  0.403281D+00 -0.412183D+00
      3   0.393397D-02 -0.110834D+01  0.102193D+00 -0.412183D+00 -0.632393D-03
               151           152           153           154           155 
      1  -0.294691D+01  0.171664D+00 -0.177905D+01 -0.121206D+01  0.627164D-01
      2   0.171664D+00 -0.742753D+00  0.231586D-01  0.627164D-01  0.364847D+00
      3  -0.177905D+01  0.231586D-01 -0.352848D+00  0.107349D+01  0.393342D-01
               156           157           158           159           160 
      1   0.107349D+01  0.179635D+00 -0.283079D+00 -0.761999D-01  0.207970D+01
      2   0.393342D-01 -0.283079D+00 -0.190645D+00  0.104935D+01 -0.637970D-01
      3   0.129710D+00 -0.761999D-01  0.104935D+01 -0.306268D+00 -0.275901D+01
               161           162           163           164           165 
      1  -0.637970D-01 -0.275901D+01  0.783088D+00 -0.757304D+00 -0.627632D+00
      2   0.158998D+01 -0.185547D+00 -0.757304D+00  0.237224D+01  0.589591D+00
      3  -0.185547D+00  0.782014D+01 -0.627632D+00  0.589591D+00  0.254774D+00
               166           167           168           169           170 
      1  -0.163139D+01 -0.658368D+00  0.194497D+00 -0.916917D+00  0.187941D+00
      2  -0.658368D+00 -0.976291D+01 -0.237810D+01  0.187941D+00 -0.382589D+01
      3   0.194497D+00 -0.237810D+01 -0.166714D+01 -0.225976D+00 -0.286548D+01
               171           172           173           174           175 
      1  -0.225976D+00 -0.155170D+01 -0.109676D+01  0.141163D+01 -0.850287D+00
      2  -0.286548D+01 -0.109676D+01 -0.347500D+00  0.505701D+00 -0.140343D+01
      3  -0.141814D+01  0.141163D+01  0.505701D+00 -0.905150D+00  0.626238D+00
               176           177           178           179           180 
      1  -0.140343D+01  0.626238D+00  0.318351D+01  0.210526D+01 -0.164413D+01
      2  -0.459093D+01  0.226915D+01  0.210526D+01  0.496344D+01 -0.500068D+01
      3   0.226915D+01 -0.176000D+01 -0.164413D+01 -0.500068D+01  0.716363D+01
               181           182           183           184           185 
      1  -0.205913D+00  0.314486D+00  0.766123D+00 -0.350174D+00  0.429365D+00
      2   0.314486D+00  0.734803D+00  0.238222D+00  0.429365D+00  0.183129D+00
      3   0.766123D+00  0.238222D+00  0.127548D+01  0.639056D-01  0.532288D+00
               186           187           188           189           190 
      1   0.639056D-01  0.125069D+01 -0.411172D+00 -0.146912D+00 -0.113256D+02
      2   0.532288D+00 -0.411172D+00  0.168128D+01  0.150669D+01  0.436576D+01
      3  -0.115672D+00 -0.146912D+00  0.150669D+01  0.735145D+01  0.846140D-02
               191           192           193           194           195 
      1   0.436576D+01  0.846140D-02  0.192283D+01 -0.160107D+01  0.320905D-01
      2  -0.302881D+01 -0.232464D+00 -0.160107D+01  0.143174D+01 -0.312826D+00
      3  -0.232464D+00 -0.104969D+01  0.320905D-01 -0.312826D+00  0.162721D+00
               196           197           198           199           200 
      1  -0.118609D+01  0.419438D+00 -0.109594D+01  0.707741D+00  0.112189D+01
      2   0.419438D+00 -0.862701D+00  0.542140D+00  0.112189D+01  0.248399D+01
      3  -0.109594D+01  0.542140D+00  0.188070D+00 -0.597458D+00 -0.221701D+00
               201           202           203           204           205 
      1  -0.597458D+00  0.142655D+01  0.106880D+01 -0.344634D+00 -0.109899D+01
      2  -0.221701D+00  0.106880D+01  0.703275D+01 -0.136279D+01  0.648640D-01
      3   0.789426D+00 -0.344634D+00 -0.136279D+01  0.111585D+01  0.475538D+00
               206           207 
      1   0.648640D-01  0.475538D+00
      2  -0.241726D+01  0.125896D+01
      3   0.125896D+01 -0.516545D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.966327D+00  0.274684D-01 -0.283981D+01 -0.170187D+01  0.200806D+00
      2  -0.105209D+01 -0.179882D+01  0.379653D+01  0.139963D+01  0.192445D+01
      3  -0.534427D+01 -0.128860D+02  0.123040D+01  0.754458D+01 -0.468569D+00
                 6             7             8             9            10 
      1  -0.485328D+00 -0.840050D+01  0.571881D+01 -0.117143D+01 -0.134778D+00
      2   0.471217D+01  0.297726D-02  0.115818D+02 -0.220234D+01  0.996705D+00
      3  -0.843928D+00 -0.235614D+01 -0.319334D+01 -0.460371D+01  0.361200D+01
                11            12            13            14            15 
      1  -0.273299D+00  0.100101D+01  0.463633D+00  0.249606D+01  0.872151D+00
      2  -0.332729D+00  0.631959D+01  0.307256D+01 -0.106837D+01 -0.206942D+01
      3  -0.993505D+01  0.583482D+00  0.121220D+02 -0.387663D-01  0.123088D+01
                16            17            18            19            20 
      1   0.414740D+01  0.113316D+02 -0.168365D+01 -0.406596D-01 -0.148389D+00
      2   0.917086D+01 -0.523682D+01  0.288931D+01  0.218834D+01 -0.201741D+01
      3  -0.292140D+01  0.843584D+00  0.197696D+01  0.720933D+01 -0.581847D+01
                21            22            23            24            25 
      1   0.224862D+01  0.900739D+00  0.992117D-01 -0.270811D+01  0.287056D+01
      2  -0.997882D+00 -0.161279D+01  0.400610D-01  0.275128D+01 -0.145050D+02
      3   0.171285D+01  0.450122D+01 -0.793874D+01 -0.650581D+00  0.377963D+01
                26            27            28            29            30 
      1   0.283826D+00  0.103776D+01 -0.383636D+00 -0.265860D+00  0.997861D+00
      2   0.477947D+01 -0.296070D+01  0.118520D+01  0.165110D+01 -0.206106D+01
      3  -0.118920D+01 -0.748595D+01 -0.334840D+01  0.137511D+02 -0.210258D+01
                31            32            33            34            35 
      1  -0.173784D+01  0.193414D+01 -0.493366D+00  0.267500D+01  0.106729D+02
      2   0.782635D+00 -0.120720D+01  0.423535D+00 -0.145033D+02  0.122892D+01
      3   0.133792D+02 -0.121818D+02  0.285217D+01  0.565295D+00  0.212420D+01
                36            37            38            39            40 
      1  -0.281887D+00  0.141386D+01  0.365507D+00 -0.461369D+00 -0.167878D+00
      2  -0.561436D+00 -0.149094D+00 -0.479553D+00 -0.824139D+00 -0.307320D+01
      3  -0.269694D+01 -0.681650D+01  0.492925D+01 -0.602000D+00  0.106904D+02
                41            42            43            44            45 
      1   0.210109D+01 -0.975711D+00 -0.366162D+01  0.733744D+01 -0.857643D+00
      2   0.205965D+01 -0.112469D+01 -0.145016D+02 -0.356451D-01 -0.399794D+00
      3   0.220933D+02 -0.287008D+01 -0.160201D+01 -0.702781D+00  0.421287D+01
                46            47            48            49            50 
      1  -0.142625D+01  0.248100D+00 -0.924640D+00 -0.299489D+00 -0.133489D+00
      2  -0.136948D+00 -0.557740D+00  0.619039D-01 -0.171854D+01 -0.142236D+01
      3  -0.133254D+00 -0.137591D+02  0.126611D+01 -0.476482D+00  0.419408D+01
                51            52            53            54            55 
      1  -0.208826D+01  0.261373D+01  0.154306D+01  0.396700D+00  0.825310D+00
      2  -0.394685D+01 -0.102199D+02 -0.101801D+02  0.288421D+01  0.281913D+00
      3   0.909521D+00  0.157919D+01  0.134704D+01  0.719318D+01  0.414692D+01
                56            57            58            59            60 
      1   0.626381D+00 -0.236049D+01 -0.208886D+01  0.413664D+01 -0.497404D+00
      2  -0.608641D+00  0.856338D+00  0.279014D+00  0.417496D+01  0.731714D+00
      3  -0.217511D+01 -0.580024D+00  0.143940D+02  0.451723D+01 -0.523103D+01
                61            62            63            64            65 
      1  -0.466625D+01  0.776371D+01 -0.547360D+01 -0.487826D+00  0.271419D+00
      2  -0.883389D+01  0.129304D+01 -0.114814D+02 -0.930611D+01  0.117281D+01
      3   0.277606D+01 -0.722673D+01  0.143963D+01 -0.841055D+01 -0.967145D+01
                66            67            68            69            70 
      1  -0.127917D+00  0.156023D+01 -0.142889D+01  0.121983D+01  0.121312D+01
      2   0.759165D+00 -0.978041D+00 -0.286231D+01  0.185166D+01 -0.897765D+01
      3  -0.217098D+00 -0.919807D+01  0.609242D+01  0.429923D+01 -0.136595D+01
                71            72            73            74            75 
      1   0.186927D+01  0.156543D+00 -0.235262D+01 -0.245572D+00  0.136596D+01
      2  -0.252966D+01  0.188167D+02  0.701564D-01  0.517542D+00  0.590700D+01
      3   0.338382D+01  0.509041D+00  0.130032D+02 -0.351279D+01  0.205109D+01
                76            77            78            79            80 
      1   0.602977D+00 -0.479856D+00 -0.632863D+01 -0.448232D+01  0.194001D+01
      2   0.939481D+00  0.273416D+01 -0.195663D+01 -0.372178D+01  0.388146D+01
      3   0.793755D+01 -0.130923D+02 -0.468150D+01  0.522732D+01 -0.676045D+01
                81            82            83            84            85 
      1  -0.196691D+01  0.710210D+00 -0.550222D+01 -0.188610D+01 -0.326327D+01
      2   0.155242D+01  0.332059D+01 -0.956718D+00 -0.168216D+01  0.607984D+00
      3  -0.717950D-01 -0.883609D+01 -0.272810D+01 -0.640405D+00  0.683885D+01
                86            87            88            89            90 
      1   0.516929D+01  0.571029D+01  0.860600D+01  0.200069D+02 -0.124443D+02
      2  -0.129975D+01  0.118386D+01 -0.416435D+01 -0.234855D+01  0.459187D+00
      3  -0.311239D+01  0.563086D+01  0.129945D+01  0.112335D+02 -0.119050D+01
                91            92            93            94            95 
      1  -0.967229D-01 -0.299003D+00 -0.234200D+01  0.309640D+00  0.251580D-02
      2   0.323342D+00  0.279878D+00  0.363237D+01 -0.655284D+00 -0.675339D+00
      3  -0.244842D+01 -0.583276D+01  0.374629D-01 -0.519829D+01 -0.104279D+02
                96            97            98            99           100 
      1  -0.265273D+01  0.111983D+01  0.106873D+01  0.209927D+00  0.229567D+00
      2   0.331909D+01 -0.121101D+01 -0.886599D+00 -0.202667D+00  0.160802D+01
      3   0.636135D+00  0.129819D+01  0.160362D+01 -0.820884D-01  0.261802D+01
               101           102           103           104           105 
      1   0.371768D+00  0.115012D+01  0.518156D-01 -0.104107D+00 -0.627524D+00
      2  -0.257741D+00  0.608104D+01 -0.117321D+01  0.586694D+00 -0.170591D+01
      3  -0.578417D+01  0.129856D+00 -0.510311D+01  0.318974D+01 -0.537072D+00
               106           107           108           109           110 
      1  -0.680325D+00  0.322109D+00  0.669988D-01 -0.543970D+00  0.371206D+00
      2  -0.205216D+01  0.453776D+00  0.440458D+00 -0.804815D+00  0.854879D+00
      3   0.157101D+01 -0.847044D+00  0.227563D+00 -0.677034D+01  0.547398D+01
               111           112           113           114           115 
      1   0.623121D+00  0.635491D+00 -0.959468D+00 -0.413114D+01 -0.576207D+00
      2  -0.144285D-01  0.120768D+01 -0.203000D+01  0.599170D+00 -0.111585D+01
      3  -0.240108D+00  0.865387D+01 -0.158304D+02  0.188171D+01 -0.691138D+00
               116           117           118           119           120 
      1   0.205527D+01  0.491300D+00  0.726878D-01 -0.416942D-01  0.123983D+01
      2   0.282558D+00  0.174621D+00  0.409976D+00 -0.413130D+00  0.104859D+01
      3   0.292246D+01  0.219493D-01  0.171649D+01 -0.163451D+01  0.342045D+00
               121           122           123           124           125 
      1  -0.303823D-01 -0.313815D+00 -0.438582D+01 -0.121744D+00  0.164131D+01
      2  -0.182830D+00  0.238726D+01 -0.270423D+01 -0.881933D+00  0.261818D+00
      3   0.467128D+00  0.172457D+02 -0.216238D+01  0.430546D+00 -0.237382D+01
               126           127           128           129           130 
      1   0.506365D+00  0.212074D+01  0.833615D+00  0.129488D+01  0.986535D+00
      2   0.218876D+00  0.747773D+00 -0.789158D+00  0.275663D+01 -0.105273D+01
      3  -0.105354D+00 -0.229573D+01 -0.330146D+01 -0.141926D+01 -0.203555D+01
               131           132           133           134           135 
      1  -0.370080D+00 -0.157966D+01  0.220892D+01  0.976880D+00  0.747090D+01
      2   0.405107D+00 -0.124266D+01  0.824773D+00 -0.104105D+01  0.119296D+02
      3   0.888577D+00 -0.137271D+01 -0.364842D+01 -0.403584D+00 -0.475053D+00
               136           137           138           139           140 
      1  -0.432203D+01 -0.143525D+01  0.474725D+01  0.796789D+00 -0.115257D+02
      2  -0.541166D+01  0.246347D+01  0.472701D+01  0.210780D+01 -0.458623D+01
      3   0.156821D+02 -0.192499D+02  0.301254D+01 -0.108991D+02 -0.987192D+01
               141           142           143           144           145 
      1  -0.182774D+01  0.226502D+01  0.450716D+01  0.136687D+02 -0.137192D+00
      2  -0.404611D+00  0.247222D+00  0.130829D+01  0.112521D+02  0.501177D+01
      3   0.730865D+01  0.260095D+01  0.681768D+01 -0.455452D+01  0.480795D+01
               146           147           148           149           150 
      1   0.311957D+00 -0.639888D-03 -0.121676D+00 -0.139825D+00 -0.702157D+00
      2  -0.754293D-01  0.603692D+01 -0.489702D+00  0.113092D+01 -0.465279D+00
      3  -0.719497D+01  0.508834D+00 -0.245862D+01  0.221909D+01 -0.135211D+01
               151           152           153           154           155 
      1  -0.466622D+00  0.878898D+00 -0.183438D+00 -0.517800D-02  0.508460D+00
      2   0.388293D+01 -0.618814D-01  0.142461D+01 -0.205564D+01  0.135521D+00
      3   0.734683D+00 -0.336748D+01  0.358221D+00  0.142256D+01  0.122523D+01
               156           157           158           159           160 
      1   0.861822D-01 -0.428867D-01  0.294169D+00 -0.785241D+00 -0.772833D+00
      2   0.457646D+00  0.104480D+01 -0.283021D+01  0.564405D+00  0.237164D+01
      3  -0.361391D+00  0.196228D+01 -0.254762D+00  0.266382D+01 -0.942831D+00
               161           162           163           164           165 
      1   0.461001D+01  0.128910D+01 -0.127433D+01  0.191659D+01  0.116511D+01
      2   0.977698D+00 -0.196682D+02 -0.274610D+00 -0.700072D+00  0.867586D+00
      3   0.643032D+01  0.828146D+00 -0.274835D+01  0.965403D+00  0.266131D+01
               166           167           168           169           170 
      1  -0.476839D+00 -0.700308D+01 -0.653002D+01 -0.105934D+01 -0.662262D+01
      2  -0.386918D+00  0.152077D+01  0.419592D+00 -0.633409D+00  0.780016D+00
      3   0.531749D+01 -0.598165D+01 -0.284921D+01  0.380283D+01 -0.423699D+01
               171           172           173           174           175 
      1  -0.444373D+01  0.318587D+01  0.904376D+00 -0.192002D+01  0.175829D+01
      2   0.712809D+00  0.118757D+01  0.682643D+00  0.891069D+00  0.320589D+00
      3  -0.167923D+01  0.467885D+01  0.115547D+01 -0.330350D+01  0.195378D+01
               176           177           178           179           180 
      1   0.315924D+01 -0.509562D+01 -0.419353D+01 -0.877004D+01  0.171762D+02
      2  -0.596579D+00  0.825872D+00 -0.202668D+01  0.136936D+01 -0.225695D+01
      3  -0.102972D+01  0.269572D-01 -0.847974D+01 -0.265315D+01 -0.514600D+00
               181           182           183           184           185 
      1  -0.149765D+01  0.344964D+00 -0.306230D+01  0.709112D-01 -0.168304D+01
      2  -0.234748D+01 -0.339258D+00 -0.186259D+01  0.156212D+00 -0.920528D+00
      3   0.687920D+00  0.180801D+01  0.205353D+01  0.129507D+01  0.103030D+01
               186           187           188           189           190 
      1  -0.473077D+00 -0.320198D+00  0.357604D+00 -0.178964D+02  0.798526D+00
      2   0.138777D+00 -0.354898D+01 -0.238212D+01 -0.137723D+02  0.368874D+01
      3   0.919564D+00  0.272652D+01  0.268538D+01  0.369593D+01 -0.197514D+02
               191           192           193           194           195 
      1  -0.279400D+00  0.326944D+01 -0.428052D+00  0.126634D+01 -0.113927D+01
      2  -0.613969D+00  0.496017D+01 -0.986750D+00  0.107697D+01 -0.756867D+00
      3   0.420611D+00 -0.778787D+00  0.330347D+01 -0.419862D+00 -0.103993D+01
               196           197           198           199           200 
      1   0.200766D+01 -0.336167D+00 -0.445060D+00  0.237975D+01  0.138888D+01
      2   0.124024D+01 -0.758168D+00 -0.251690D+00  0.991078D+00 -0.225950D+00
      3  -0.179212D+01 -0.133118D+01 -0.121181D+01  0.861918D+01  0.729829D+01
               201           202           203           204           205 
      1  -0.326411D+01  0.174925D+01  0.569032D+01 -0.553042D+01 -0.162705D+01
      2  -0.482348D+00  0.391612D+00  0.145788D+01 -0.114396D+01 -0.182106D+01
      3  -0.293452D+01  0.998629D+01  0.178801D+02 -0.429283D+01 -0.459192D+01
               206           207 
      1  -0.270019D+01  0.196768D+01
      2  -0.143935D+01  0.526490D+00
      3  -0.510582D+01  0.420806D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.769912D+00 -0.184069D+02  0.152305D+01  0.295744D+02  0.157807D+01
      2  -0.494744D+01  0.128710D+02  0.872636D+00 -0.276877D+02 -0.677439D+01
      3   0.417753D+01  0.553588D+01 -0.239568D+01 -0.188672D+01  0.519632D+01
      4  -0.204516D+02  0.989982D+01 -0.340705D+01 -0.821123D+00 -0.174447D+02
      5   0.995335D+00 -0.395949D+01  0.839749D+01  0.414645D+01  0.717156D+01
      6  -0.105154D+01 -0.137052D+01  0.644376D+01  0.547173D+01  0.264480D+01
                 6             7             8             9            10 
      1   0.161830D+01 -0.796613D+01 -0.105353D+01  0.874452D+01 -0.818288D+01
      2  -0.172267D+01  0.859700D+01  0.292637D+01 -0.127672D+02  0.430325D+01
      3   0.104368D+00 -0.630867D+00 -0.187284D+01  0.402267D+01  0.387963D+01
      4   0.700420D+01  0.928655D+00  0.790263D+01  0.165168D+02  0.105893D+02
      5   0.100156D+02  0.274104D+02  0.177484D+02 -0.478657D+01 -0.612116D+01
      6   0.239277D+01  0.105278D+02  0.109854D+02  0.187155D+01  0.239517D+00
                11            12            13            14            15 
      1   0.563974D+01 -0.423282D+01 -0.154516D+02 -0.223385D+02  0.532336D+01
      2  -0.267005D+01  0.203170D+01  0.136386D+02  0.209925D+02 -0.599884D+01
      3  -0.296969D+01  0.220113D+01  0.181304D+01  0.134593D+01  0.675474D+00
      4   0.223393D+02 -0.113449D+00 -0.209649D+02  0.114403D+02 -0.439066D+01
      5  -0.484181D+00  0.139564D+02  0.817078D+01 -0.587773D+01 -0.423640D+01
      6  -0.489361D-01 -0.256433D+01 -0.407821D+01 -0.221685D+01 -0.224896D+01
                16            17            18            19            20 
      1  -0.345236D+01  0.725692D+01  0.179133D+02  0.910280D+01  0.604067D+00
      2  -0.873809D+00 -0.583465D+01 -0.208784D+02 -0.649881D+01 -0.424064D+01
      3   0.432617D+01 -0.142228D+01  0.296510D+01 -0.260398D+01  0.363658D+01
      4   0.996625D+01 -0.189538D+01 -0.431903D+01  0.949418D+01 -0.233279D+02
      5   0.378412D+02 -0.681355D+01  0.552311D+01 -0.213642D+01  0.272146D+01
      6  -0.284507D+01  0.446480D+01  0.266478D+01  0.227413D+00 -0.121641D+01
                21            22            23            24            25 
      1   0.113092D+01  0.621149D+01  0.621342D+01 -0.396076D+01 -0.443877D+00
      2  -0.142585D+01  0.164114D+01 -0.119449D+02  0.534545D+01 -0.383797D+00
      3   0.294931D+00 -0.785263D+01  0.573150D+01 -0.138469D+01  0.827674D+00
      4   0.273023D+01  0.175078D+02  0.100786D+02  0.519945D+00 -0.388552D+01
      5  -0.356950D+01 -0.286971D+01  0.700592D+00  0.352453D+01  0.138166D+01
      6  -0.397041D+01 -0.175452D+01  0.814070D+01  0.568099D+01 -0.730370D+00
                26            27            28            29            30 
      1  -0.293215D+01 -0.151234D+02 -0.350013D+02  0.100649D+02 -0.669291D+00
      2   0.782905D+01  0.368858D+01  0.165950D+02 -0.323737D+01  0.514606D+00
      3  -0.489690D+01  0.114349D+02  0.184063D+02 -0.682756D+01  0.154685D+00
      4  -0.958146D+00  0.977234D+01 -0.108400D+02  0.747544D+01 -0.306725D+01
      5   0.100167D+02 -0.617490D+01  0.634311D+01 -0.223323D+01 -0.107236D+01
      6   0.166298D+02 -0.446043D+01 -0.225099D+01  0.468019D+00 -0.157773D+01
                31            32            33            34            35 
      1   0.126887D+02  0.240816D+01 -0.198718D+01 -0.593104D+01 -0.144976D+01
      2  -0.493362D+01  0.245769D+01  0.423197D+00  0.315197D+01  0.302928D+01
      3  -0.775508D+01 -0.486585D+01  0.156399D+01  0.277907D+01 -0.157953D+01
      4  -0.584613D+01  0.429520D+01 -0.221592D+01  0.198023D+01 -0.370585D+01
      5   0.192218D+00 -0.703200D+00 -0.518952D+00  0.930995D+00  0.771717D+00
      6  -0.812969D+00 -0.422002D-01  0.122493D+00 -0.209104D+01  0.355516D+01
                36            37            38            39            40 
      1  -0.106564D+02 -0.130622D+02 -0.271427D+02  0.426508D+01 -0.182595D+02
      2  -0.252775D+01  0.132962D+02  0.199418D+02 -0.341021D+01  0.651197D+01
      3   0.131841D+02 -0.234034D+00  0.720091D+01 -0.854872D+00  0.117475D+02
      4  -0.154173D+01 -0.656572D+01 -0.361811D+00 -0.253271D+00  0.391963D+00
      5   0.901701D-01 -0.201682D+01 -0.213578D+01 -0.536262D+00 -0.434589D+00
      6  -0.450171D+00 -0.319644D+01 -0.278836D+01  0.159708D+01  0.110081D+01
                41            42            43            44            45 
      1  -0.153425D+02 -0.413605D+00  0.224681D+01 -0.352797D+01 -0.136120D+02
      2   0.154766D+02 -0.178488D+01 -0.315220D+01  0.251273D+01  0.260043D+01
      3  -0.134131D+00  0.219848D+01  0.905390D+00  0.101524D+01  0.110115D+02
      4  -0.814950D+01  0.186407D+00  0.116666D+01 -0.280773D+01 -0.497266D+00
      5  -0.900509D+00 -0.495329D+00  0.111206D+01 -0.257596D+01 -0.162890D+01
      6  -0.141868D+01  0.135074D+01  0.296918D+01  0.102588D+02 -0.736392D-01
                46            47            48            49            50 
      1   0.107186D+02  0.206317D+02 -0.571350D+00 -0.225325D+02  0.153359D+02
      2  -0.118623D+02 -0.143841D+02  0.122367D+01  0.188064D+02 -0.229220D+02
      3   0.114377D+01 -0.624765D+01 -0.652325D+00  0.372611D+01  0.758617D+01
      4   0.754785D+01 -0.159238D+02  0.399177D+01  0.100664D+02  0.282095D+01
      5   0.523941D-01  0.551255D+01 -0.147912D+01 -0.568213D+00 -0.305483D+01
      6   0.441849D+01 -0.140557D+01  0.556991D+00 -0.295642D+01  0.754074D+01
                51            52            53            54            55 
      1  -0.266718D+01  0.440336D+01  0.189765D+01 -0.544007D+01  0.224768D+02
      2   0.467201D+01 -0.622627D+01  0.385800D+01 -0.316117D+01 -0.752315D+01
      3  -0.200483D+01  0.182291D+01 -0.575565D+01  0.860124D+01 -0.149536D+02
      4  -0.344202D+01  0.215450D+01 -0.713575D+01 -0.162812D+02 -0.283049D+01
      5  -0.779158D+01  0.959427D+01 -0.165622D+02  0.595584D+01 -0.378724D+01
      6   0.499524D+01 -0.581165D+01  0.144213D+02 -0.176179D+01  0.366902D+01
                56            57            58            59            60 
      1  -0.135921D+02  0.769317D+00 -0.179750D+02 -0.500796D+00  0.345963D+01
      2   0.117811D+02  0.506008D+00  0.166127D+02 -0.224708D+01 -0.710207D+01
      3   0.181101D+01 -0.127532D+01  0.136226D+01  0.274788D+01  0.364244D+01
      4  -0.889842D+01  0.251442D+01 -0.148555D+02  0.108763D+02  0.722515D+01
      5   0.273179D+01 -0.704201D+01  0.274493D+01  0.760153D+01  0.330841D+01
      6   0.185461D+01  0.420920D+01  0.360357D+01 -0.806041D+01 -0.444045D+01
                61            62            63            64            65 
      1   0.124510D+02  0.485677D+00  0.705941D+01 -0.506702D+02  0.980660D+01
      2   0.687948D+01 -0.121674D+02  0.633397D+01  0.282834D+02 -0.714067D+01
      3  -0.193305D+02  0.116817D+02 -0.133934D+02  0.223868D+02 -0.266593D+01
      4   0.128286D+01  0.904267D+01  0.876724D+01  0.107376D+02  0.627630D+01
      5  -0.131773D+02  0.695680D+01 -0.297146D+02 -0.135752D+02  0.759387D+00
      6   0.964359D+01 -0.437031D+01  0.164257D+02 -0.507231D+00 -0.132625D+01
                66            67            68            69            70 
      1  -0.958952D+01  0.196255D+02  0.119498D+02 -0.839006D+00 -0.149271D+02
      2   0.495006D+01 -0.140556D+02 -0.137988D+02  0.391336D+01  0.221558D+01
      3   0.463946D+01 -0.556986D+01  0.184904D+01 -0.307435D+01  0.127116D+02
      4   0.511615D+00 -0.852526D+00 -0.267311D+01 -0.683063D+01 -0.309165D+01
      5  -0.205203D+01 -0.508573D+01 -0.706149D+01  0.529630D+01 -0.113187D+02
      6   0.622921D+00 -0.299626D+01 -0.176228D+01 -0.472067D+01 -0.269778D+01
                71            72            73            74            75 
      1   0.803575D+00 -0.211390D+00  0.249726D+02  0.862969D+01 -0.229198D+00
      2   0.518925D+00  0.135413D+02 -0.135004D+02 -0.469203D+01 -0.158706D+01
      3  -0.132250D+01 -0.133299D+02 -0.114722D+02 -0.393767D+01  0.181626D+01
      4  -0.289081D+01 -0.388735D+01  0.144636D+02  0.145222D+02  0.646437D+01
      5  -0.206955D+01  0.358312D+02  0.772165D+01  0.387427D+01  0.101010D+02
      6  -0.863352D+00  0.289308D+01  0.532278D+01  0.597960D+01 -0.447054D+01
                76            77            78            79            80 
      1  -0.772960D+01 -0.109797D+02 -0.150163D+01  0.107241D+02 -0.328924D+00
      2   0.859895D+01  0.197475D+02  0.564862D+00 -0.713309D+01  0.180137D+01
      3  -0.869346D+00 -0.876784D+01  0.936770D+00 -0.359101D+01 -0.147244D+01
      4   0.145512D+02  0.185270D+02  0.658572D+01  0.706363D+01  0.767263D+01
      5   0.457642D+01  0.565493D+01 -0.390361D+01  0.116927D+02  0.734976D+01
      6   0.793725D+00  0.599972D+01  0.108261D+02  0.706072D+01  0.128978D+02
                81            82            83            84            85 
      1  -0.744366D+01 -0.101840D+02 -0.633919D+01 -0.329407D+01  0.140780D+02
      2  -0.368965D+01  0.620373D+01  0.129212D+02  0.624328D+01 -0.986168D+01
      3   0.111333D+02  0.398023D+01 -0.658196D+01 -0.294921D+01 -0.421635D+01
      4   0.979081D+01 -0.131340D+01 -0.773477D+01 -0.350796D+01  0.290374D+00
      5   0.277921D+01 -0.298776D+00 -0.112181D+01 -0.723815D+01  0.294823D+01
      6   0.381295D+01 -0.137802D+01  0.506166D+01  0.369808D+01  0.765635D+01
                86            87            88            89            90 
      1   0.408513D+02  0.146215D+01 -0.180271D+02 -0.781914D+01  0.291225D+02
      2  -0.450003D+02 -0.930904D+01  0.130066D+02 -0.590921D+01 -0.192703D+02
      3   0.414905D+01  0.784689D+01  0.502058D+01  0.137284D+02 -0.985217D+01
      4   0.305030D+01  0.417785D+01  0.377975D+01  0.553820D+01 -0.878656D+01
      5   0.375096D+01 -0.242947D+01 -0.670303D+01 -0.972971D+01  0.933680D+01
      6  -0.699077D+01 -0.164389D+02 -0.124730D+02 -0.370048D+02  0.280127D+02
                91            92            93            94            95 
      1   0.404357D+02  0.221877D+02 -0.195859D+01  0.173942D+02  0.120499D+02
      2  -0.139198D+02 -0.452756D+01  0.894025D+00  0.169369D+01  0.783527D+01
      3  -0.265159D+02 -0.176602D+02  0.106456D+01 -0.190879D+02 -0.198852D+02
      4   0.449377D+02  0.340235D+02 -0.218472D+01  0.402044D+02  0.428796D+02
      5  -0.360410D+01 -0.200773D+01  0.684221D+01 -0.406816D+01 -0.374453D+01
      6  -0.456819D+00 -0.459422D+00  0.314426D+01 -0.183803D+01 -0.176694D+01
                96            97            98            99           100 
      1  -0.146283D+01 -0.357986D+00 -0.697666D+00  0.352398D+00  0.102422D+03
      2   0.436784D+00 -0.714188D+00 -0.442968D+00  0.542761D+00 -0.580694D+02
      3   0.102605D+01  0.107217D+01  0.114063D+01 -0.895160D+00 -0.443529D+02
      4  -0.370424D+01 -0.306500D+01 -0.383663D+01  0.306170D+01 -0.267600D+02
      5   0.527644D+01  0.231822D+01  0.161734D+01 -0.817823D+00  0.107205D+02
      6   0.459645D+01  0.145967D+01  0.212936D+01 -0.952454D+00  0.249223D+00
               101           102           103           104           105 
      1  -0.184826D+02  0.699586D+01 -0.173887D+02  0.130581D+02 -0.214273D+01
      2   0.951070D+01 -0.470382D+01  0.787640D+01 -0.593695D+01  0.150424D+01
      3   0.897185D+01 -0.229203D+01  0.951235D+01 -0.712115D+01  0.638491D+00
      4   0.133461D+02 -0.174758D+01  0.211512D+02 -0.987537D+01  0.185064D+01
      5  -0.190386D+01  0.106228D+02 -0.383516D+01  0.206368D+01 -0.260206D+01
      6   0.320028D+00 -0.129380D+01  0.108110D+01 -0.387618D+00  0.196352D+01
               106           107           108           109           110 
      1   0.850717D+01 -0.298391D+01  0.334272D+01 -0.447636D+01  0.489773D+01
      2  -0.488520D+01  0.193020D+01 -0.213794D+01  0.595035D+01 -0.462531D+01
      3  -0.362197D+01  0.105371D+01 -0.120478D+01 -0.147399D+01 -0.272418D+00
      4  -0.393062D+01  0.196091D+01 -0.190644D+01 -0.155301D+01  0.708280D+01
      5   0.413066D+01 -0.104794D+01  0.185993D+01 -0.610111D+00 -0.168592D+00
      6  -0.736704D+00  0.104605D+01 -0.502016D+00 -0.911816D+00  0.125477D+01
               111           112           113           114           115 
      1  -0.119577D+01  0.491584D+01 -0.345467D+02  0.583226D+01 -0.647128D+00
      2   0.629631D+00 -0.527167D+01  0.475354D+02 -0.575364D+01  0.656236D+00
      3   0.566134D+00  0.355829D+00 -0.129887D+02 -0.786203D-01 -0.910810D-02
      4  -0.413647D+00  0.545949D+01  0.135054D+02 -0.265310D+01 -0.278911D+00
      5   0.952306D+00 -0.179819D+00 -0.340930D+01  0.178921D+01  0.712193D+00
      6  -0.577631D+00  0.419162D+00 -0.101258D+02  0.769841D+01 -0.899644D-01
               116           117           118           119           120 
      1   0.585264D+01 -0.246223D+01  0.290244D+01 -0.372001D+01  0.431883D+00
      2  -0.708668D+01  0.251049D+01  0.315421D+01 -0.352678D+01  0.459291D-01
      3   0.123404D+01 -0.482579D-01 -0.605666D+01  0.724679D+01 -0.477812D+00
      4  -0.179590D+01 -0.559904D+00 -0.138704D+02  0.186604D+02 -0.266807D+01
      5  -0.505182D-02  0.301411D+00  0.215959D+01 -0.280450D+01  0.304298D+01
      6   0.395232D+01 -0.237352D+01 -0.161452D+01  0.191317D+01 -0.204587D+01
               121           122           123           124           125 
      1   0.665247D+00 -0.201944D+02  0.273043D+01 -0.551903D-01  0.222209D+01
      2  -0.895919D+01  0.406980D+02 -0.367421D+01  0.125888D+01 -0.416474D+01
      3   0.829394D+01 -0.205036D+02  0.943780D+00 -0.120369D+01  0.194265D+01
      4   0.207485D+02 -0.462158D+02  0.586293D+01 -0.372483D+01  0.651484D+01
      5  -0.288100D+01  0.589895D+01 -0.482579D+01  0.146840D+01 -0.170565D+01
      6   0.292437D+01 -0.854722D+01  0.764787D+01 -0.172463D+01  0.439668D+01
               126           127           128           129           130 
      1  -0.232496D+01  0.259392D+01  0.131248D+01  0.262818D+01  0.325760D+01
      2   0.283746D+01 -0.640921D+01 -0.143939D+01 -0.424890D+01 -0.362832D+01
      3  -0.512497D+00  0.381529D+01  0.126915D+00  0.162072D+01  0.370718D+00
      4  -0.208552D+01 -0.288326D+01  0.609687D+01 -0.358596D+01  0.869341D+01
      5   0.992383D+00  0.952054D+01 -0.243826D+01  0.129090D+02 -0.207198D+01
      6  -0.229671D+01 -0.456247D+01  0.762829D+00 -0.318065D+01  0.204961D+01
               131           132           133           134           135 
      1  -0.455990D+01  0.170000D+01 -0.251862D+01  0.457703D+01 -0.155107D+02
      2   0.211906D+01 -0.117224D+01 -0.811551D+01  0.141759D-01 -0.169516D+02
      3   0.244084D+01 -0.527759D+00  0.106341D+02 -0.459121D+01  0.324623D+02
      4  -0.679008D+01  0.390070D+01 -0.777373D+01  0.644107D+01 -0.662427D+01
      5   0.371466D+01 -0.297158D+01  0.185941D+02 -0.647283D+01  0.319952D+02
      6  -0.251700D+01  0.862785D+01 -0.842145D+01  0.743944D+01 -0.195647D+02
               136           137           138           139           140 
      1  -0.329602D+02  0.278755D+02 -0.150953D+01  0.245585D+02  0.796397D+01
      2   0.646437D+01 -0.255246D+02  0.574757D+01 -0.251996D+02 -0.123317D+02
      3   0.264958D+02 -0.235092D+01 -0.423804D+01  0.641168D+00  0.436772D+01
      4   0.411438D+02 -0.872275D+01  0.200759D+01  0.425179D+01 -0.130988D+02
      5  -0.711391D-01 -0.223272D+01  0.606674D+01 -0.982032D+00 -0.112021D+02
      6   0.467918D+01 -0.503873D-01 -0.778766D+01 -0.238068D+01  0.181625D+02
               141           142           143           144           145 
      1  -0.104187D+02 -0.355898D+01 -0.934731D+01  0.138790D+02  0.808366D+02
      2   0.162362D+02  0.492749D+00  0.200417D+02  0.325110D+01 -0.462368D+02
      3  -0.581745D+01  0.306623D+01 -0.106944D+02 -0.171301D+02 -0.345998D+02
      4  -0.746436D+01  0.727032D+01 -0.117575D+02 -0.790790D+01 -0.266565D+00
      5  -0.374224D+00  0.669041D+01 -0.104109D+01  0.162576D+02  0.111729D+02
      6   0.299731D+01 -0.774644D+01  0.108335D+01 -0.229699D+02  0.853516D+00
               146           147           148           149           150 
      1  -0.460678D+01  0.949606D+01 -0.103515D+02  0.701394D+01 -0.512292D+00
      2   0.313126D+01 -0.542862D+01  0.618928D+01 -0.241085D+01  0.850881D+00
      3   0.147552D+01 -0.406744D+01  0.416224D+01 -0.460310D+01 -0.338589D+00
      4   0.914561D+01  0.156215D+00  0.119484D+02 -0.254709D+01  0.248520D+01
      5  -0.229454D+00  0.997109D+01 -0.814746D+00  0.281294D+01 -0.688279D+00
      6   0.490808D+00  0.268363D+00  0.600317D+00  0.278463D+00  0.146589D+01
               151           152           153           154           155 
      1   0.157508D+02 -0.994845D+00  0.869879D+01  0.792205D+01 -0.314662D+00
      2  -0.101123D+02  0.871370D+00 -0.753523D+01 -0.677029D+01  0.139328D+00
      3  -0.563853D+01  0.123475D+00 -0.116356D+01 -0.115175D+01  0.175335D+00
      4  -0.546316D+00  0.393214D+01  0.193598D+00  0.623093D+00 -0.665001D+00
      5   0.144908D+02 -0.444514D+00  0.431903D+01 -0.605384D+01 -0.339947D+00
      6   0.508081D+00  0.947224D+00 -0.138068D+00 -0.958542D+00 -0.818662D-01
               156           157           158           159           160 
      1  -0.514876D+01 -0.144269D+00 -0.329211D+01  0.167386D+01 -0.775846D+01
      2   0.327951D+01  0.464067D+00  0.671793D+00 -0.778663D+00  0.113328D+02
      3   0.186925D+01 -0.319798D+00  0.262032D+01 -0.895196D+00 -0.357438D+01
      4  -0.116007D+01  0.302305D+01  0.108126D+01 -0.492359D+01 -0.118880D+01
      5   0.449139D+01  0.227030D-01 -0.483315D+01  0.112778D+01  0.182092D+02
      6   0.183408D+00 -0.152702D+01 -0.140047D+01  0.724176D+01  0.220859D+01
               161           162           163           164           165 
      1   0.649447D+00 -0.427995D+01 -0.141481D+01  0.975128D+01  0.366649D+01
      2  -0.109316D+01 -0.203981D+02  0.411718D+01 -0.138386D+02 -0.353696D+01
      3   0.443717D+00  0.246780D+02 -0.270237D+01  0.408735D+01 -0.129535D+00
      4  -0.773783D+01  0.279365D+01 -0.253470D+01  0.914154D+01  0.331969D+01
      5   0.111281D+01 -0.384078D+02 -0.125702D+00  0.135061D+01  0.234642D+01
      6   0.409561D+01 -0.587122D+01  0.412602D+01 -0.443592D+01 -0.204908D+01
               166           167           168           169           170 
      1  -0.109811D+01 -0.411892D+02 -0.102285D+02  0.220266D+01 -0.168768D+02
      2   0.117445D+01  0.599668D+02  0.149558D+02 -0.765161D+00  0.228417D+02
      3  -0.763317D-01 -0.187776D+02 -0.472723D+01 -0.143750D+01 -0.596487D+01
      4   0.639190D+01  0.180822D+01 -0.291467D+00  0.372431D+01  0.212722D+00
      5   0.753613D+00  0.105129D+01  0.130070D+01  0.244609D+01  0.231644D+01
      6  -0.250309D+00  0.189159D+02  0.126959D+02  0.205262D+01  0.206123D+02
               171           172           173           174           175 
      1  -0.133469D+02 -0.313735D+00  0.124425D+00  0.402868D+00 -0.382374D+01
      2   0.128773D+02 -0.124021D+01 -0.597837D+00  0.549541D+00  0.451419D+01
      3   0.469660D+00  0.155394D+01  0.473412D+00 -0.952409D+00 -0.690445D+00
      4   0.721409D+00  0.531665D+01  0.718772D+01 -0.577080D+01  0.419511D+01
      5  -0.242561D+00 -0.420139D+01 -0.379186D+01  0.792237D+01 -0.200227D+01
      6   0.101220D+02 -0.731432D+01 -0.349125D+01  0.424129D+01 -0.409519D+01
               176           177           178           179           180 
      1  -0.204293D+02  0.962913D+01  0.562072D+01  0.236124D+02 -0.284468D+02
      2   0.216682D+02 -0.882697D+01 -0.313835D+01 -0.153566D+02  0.903227D+01
      3  -0.123887D+01 -0.802163D+00 -0.248237D+01 -0.825581D+01  0.194145D+02
      4   0.623463D+01 -0.437422D+01 -0.969270D+01 -0.814675D+01  0.799170D+01
      5  -0.446070D+01  0.322271D+01  0.812227D+01  0.947297D+01 -0.120858D+02
      6  -0.150325D+02  0.147436D+02  0.960320D+01  0.318530D+02 -0.389405D+02
               181           182           183           184           185 
      1   0.962113D+00 -0.507119D+01 -0.551205D+01 -0.173091D+01 -0.440847D+01
      2  -0.168648D+01  0.509900D+01  0.421546D+00  0.152994D+01  0.291253D+01
      3   0.724366D+00 -0.278081D-01  0.509051D+01  0.200969D+00  0.149594D+01
      4  -0.192469D+01  0.741737D+00  0.320188D+01 -0.588599D-01  0.149898D+01
      5  -0.144392D+01  0.498353D+00  0.847352D+00 -0.390719D+00 -0.893307D+00
      6   0.290913D+01  0.194419D+01  0.575917D+01  0.227195D+00  0.232553D+01
               186           187           188           189           190 
      1  -0.170161D+01 -0.380904D+01 -0.658091D+01 -0.200811D+02  0.525728D+02
      2   0.316393D+01  0.795412D+00  0.564855D+01 -0.790329D+01 -0.165347D+02
      3  -0.146232D+01  0.301363D+01  0.932356D+00  0.279844D+02 -0.360381D+02
      4  -0.130129D+01  0.681098D+01 -0.591703D+01  0.981647D-01 -0.568828D+02
      5   0.576565D+00  0.515736D+01 -0.470640D+01 -0.214955D+02 -0.512081D+01
      6   0.479372D+01 -0.610827D+00  0.112240D+02  0.333178D+02  0.557180D+00
               191           192           193           194           195 
      1  -0.125583D+02  0.171628D+01 -0.548420D+01  0.339364D+01  0.817207D+00
      2  -0.321622D+01 -0.601141D+00 -0.350174D+01  0.553719D+01 -0.170001D+01
      3   0.157745D+02 -0.111514D+01  0.898593D+01 -0.893083D+01  0.882808D+00
      4   0.307398D+02 -0.149493D-01  0.179930D+02 -0.129118D+02  0.984579D+00
      5   0.231648D+01  0.854078D+01  0.781662D+00  0.558527D+00 -0.140138D+01
      6  -0.205346D+01 -0.611486D+01 -0.781189D+00 -0.926186D+00  0.191341D+01
               196           197           198           199           200 
      1   0.340299D+01  0.108463D+01  0.329134D+01 -0.248671D+01 -0.147548D+02
      2  -0.113557D+01 -0.345999D+01 -0.250799D+01  0.686328D+01  0.199974D+02
      3  -0.226742D+01  0.237536D+01 -0.783346D+00 -0.437657D+01 -0.524265D+01
      4  -0.445767D+01  0.351022D+01 -0.525674D+01  0.122537D+01  0.186745D+01
      5   0.928156D+01 -0.369519D+01 -0.687035D-01  0.142572D+01  0.126817D+01
      6  -0.552627D+01  0.357826D+01  0.969402D+00 -0.304875D+01 -0.132133D+01
               201           202           203           204           205 
      1   0.214514D+01 -0.926817D+01 -0.326428D+02  0.680198D+01  0.351338D+01
      2  -0.359724D+01  0.103841D+02  0.529645D+02 -0.106679D+02 -0.238134D+01
      3   0.145211D+01 -0.111595D+01 -0.203218D+02  0.386590D+01 -0.113203D+01
      4  -0.182133D+01  0.648327D+01 -0.109881D+02  0.175329D+01 -0.449240D+01
      5  -0.155226D+01  0.184711D+01  0.516120D+01 -0.319960D+01 -0.433194D+00
      6   0.490803D+01 -0.151202D+01 -0.763167D+01  0.856349D+01  0.287424D+01
               206           207 
      1   0.936302D+01 -0.844351D+01
      2  -0.150957D+02  0.753402D+01
      3   0.573270D+01  0.909488D+00
      4   0.585728D+01 -0.535299D-01
      5  -0.309084D+01  0.112635D+01
      6   0.957985D+01 -0.455319D+01
 Leave Link  716 at Fri Jul 16 13:43:01 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149952D+03 -0.259750D+01  0.945127D+00
      2  -0.259750D+01  0.132912D+03 -0.481835D+01
      3   0.945127D+00 -0.481835D+01  0.824686D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.453600D+01  0.221191D+00 -0.114989D+02
      2   0.581335D+01 -0.126028D+02 -0.462508D+01
      3   0.750274D+01 -0.469652D+02  0.985488D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.133111D+03  0.844779D+01 -0.562215D+01
      2  -0.704842D+02  0.179186D+02 -0.134374D+02
      3  -0.626271D+02 -0.263664D+02  0.190595D+02
      4   0.565643D+02  0.597972D+02 -0.190399D+02
      5   0.161476D+02 -0.195434D+02 -0.169191D+02
      6  -0.552023D+01  0.119692D+02  0.182768D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.913178D+00  0.168891D+01 -0.652016D+00  0.503683D+01 -0.805398D+00
      2   0.168891D+01  0.178038D+01 -0.222441D+00 -0.805398D+00  0.236351D+01
      3  -0.652016D+00 -0.222441D+00  0.162835D+01  0.987824D+00  0.323859D+00
                 6             7             8             9            10 
      1   0.987824D+00 -0.105473D+01  0.633927D+00  0.396968D+01  0.509941D+01
      2   0.323859D+00  0.633927D+00  0.795078D+00  0.320825D+01 -0.903105D+00
      3   0.157009D+01  0.396968D+01  0.320825D+01 -0.670398D+00 -0.258139D+00
                11            12            13            14            15 
      1  -0.903105D+00 -0.258139D+00 -0.182715D+01 -0.184305D+01  0.878698D+00
      2   0.257556D+01 -0.621346D-02 -0.184305D+01 -0.273332D+01  0.119050D+00
      3  -0.621346D-02  0.199918D+01  0.878698D+00  0.119050D+00 -0.582231D+00
                16            17            18            19            20 
      1  -0.191589D+00  0.940557D+00  0.525070D+01  0.145364D+01 -0.499654D+01
      2   0.940557D+00  0.244906D+00 -0.123089D+01 -0.499654D+01 -0.853028D+00
      3   0.525070D+01 -0.123089D+01  0.987968D+00  0.669665D+00 -0.186512D+00
                21            22            23            24            25 
      1   0.669665D+00  0.496648D+01 -0.129094D+01  0.135443D+00 -0.738791D-01
      2  -0.186512D+00 -0.129094D+01  0.220971D+01  0.575641D+00 -0.235898D+00
      3  -0.575817D+00  0.135443D+00  0.575641D+00  0.156452D+01 -0.167637D+00
                26            27            28            29            30 
      1  -0.235898D+00 -0.167637D+00 -0.145120D+02  0.512877D+01 -0.163513D+01
      2   0.526491D+00  0.373221D+01  0.512877D+01 -0.494638D+01  0.763008D+00
      3   0.373221D+01 -0.170227D+01 -0.163513D+01  0.763008D+00 -0.146729D+01
                31            32            33            34            35 
      1   0.839157D+01  0.246526D+01 -0.278482D+00 -0.114833D+01 -0.653383D+00
      2   0.246526D+01  0.253940D+01  0.105168D+00 -0.653383D+00 -0.894251D-01
      3  -0.278482D+00  0.105168D+00  0.788016D-01 -0.296489D+01  0.130171D+01
                36            37            38            39            40 
      1  -0.296489D+01 -0.307819D+00 -0.458770D+01  0.602748D+00 -0.132499D+02
      2   0.130171D+01 -0.458770D+01 -0.701810D+01  0.111832D+01 -0.324105D+01
      3  -0.130866D+01  0.602748D+00  0.111832D+01 -0.116245D+01  0.245006D+00
                41            42            43            44            45 
      1  -0.324105D+01  0.245006D+00  0.205368D+01 -0.191950D-01 -0.199969D+01
      2  -0.715825D+01  0.259590D+00 -0.191950D-01 -0.220771D+00 -0.289023D+01
      3   0.259590D+00 -0.757428D+00 -0.199969D+01 -0.289023D+01  0.638660D+00
                46            47            48            49            50 
      1  -0.316682D+01  0.382396D+01 -0.602725D+00 -0.431359D+01  0.553137D+00
      2   0.382396D+01  0.316824D+01 -0.899583D-01  0.553137D+00 -0.470403D+00
      3  -0.602725D+00 -0.899583D-01 -0.265563D-01  0.456474D-01 -0.607818D+00
                51            52            53            54            55 
      1   0.456474D-01  0.891325D-01  0.775113D+00  0.170702D+01  0.364875D+01
      2  -0.607818D+00  0.775113D+00 -0.310310D+00 -0.366943D+01 -0.925766D+00
      3  -0.172752D+01  0.170702D+01 -0.366943D+01  0.136079D+01  0.105004D+01
                56            57            58            59            60 
      1  -0.925766D+00  0.105004D+01 -0.151730D+01  0.431109D+01 -0.488492D+00
      2   0.324715D+01 -0.393132D+00  0.431109D+01 -0.190770D+01 -0.172529D+01
      3  -0.393132D+00  0.172509D+01 -0.488492D+00 -0.172529D+01 -0.965812D+00
                61            62            63            64            65 
      1   0.330246D+01 -0.790692D+00  0.332339D+01  0.712217D+01 -0.187759D+01
      2  -0.790692D+00 -0.194694D+01 -0.140597D+01 -0.187759D+01 -0.227948D+01
      3   0.332339D+01 -0.140597D+01  0.799492D+01  0.168953D+01 -0.150953D-01
                66            67            68            69            70 
      1   0.168953D+01 -0.413354D+01 -0.136006D+01  0.681330D+00  0.203656D+01
      2  -0.150953D-01 -0.136006D+01  0.144140D+01  0.123613D+01  0.116062D+00
      3  -0.515101D-01  0.681330D+00  0.123613D+01 -0.507094D+00  0.190017D+01
                71            72            73            74            75 
      1   0.116062D+00  0.190017D+01 -0.528304D+01 -0.145615D+01 -0.146027D+01
      2   0.157797D+01  0.453749D+00 -0.145615D+01  0.617474D+00 -0.114374D+01
      3   0.453749D+00 -0.760601D+01 -0.146027D+01 -0.114374D+01  0.119245D+00
                76            77            78            79            80 
      1   0.658688D+00 -0.135866D+01 -0.609960D+00 -0.166326D+01  0.321619D+00
      2  -0.135866D+01 -0.512510D+01 -0.134923D+01  0.321619D+00 -0.119313D+01
      3  -0.609960D+00 -0.134923D+01  0.161382D+00 -0.178834D+01 -0.208128D+01
                81            82            83            84            85 
      1  -0.178834D+01  0.334087D+01  0.106232D+01  0.840498D-01  0.181015D+01
      2  -0.208128D+01  0.106232D+01 -0.783615D+00 -0.593403D+00  0.311615D+01
      3  -0.250588D+00  0.840498D-01 -0.593403D+00 -0.296968D-01 -0.142876D+01
                86            87            88            89            90 
      1   0.311615D+01 -0.142876D+01 -0.127764D+01 -0.311338D+01  0.229132D+01
      2   0.915332D+01  0.233669D+00 -0.311338D+01 -0.140662D+01  0.606336D+01
      3   0.233669D+00  0.236192D+01  0.229132D+01  0.606336D+01 -0.521626D+01
                91            92            93            94            95 
      1   0.715031D+01  0.450629D+01 -0.348387D+00  0.453670D+01  0.454547D+01
      2   0.450629D+01  0.340649D+01 -0.195025D+00  0.454547D+01  0.534169D+01
      3  -0.348387D+00 -0.195025D+00  0.640600D+00 -0.507365D+00 -0.489858D+00
                96            97            98            99           100 
      1  -0.507365D+00 -0.250164D+00 -0.369433D+00  0.774294D-01  0.132028D+02
      2  -0.489858D+00 -0.369433D+00 -0.544675D+00  0.136082D+00 -0.252746D+01
      3   0.671595D+00  0.774294D-01  0.136082D+00 -0.828760D-01  0.103450D+01
               101           102           103           104           105 
      1  -0.252746D+01  0.103450D+01 -0.263885D+01  0.217380D+01 -0.422511D+00
      2   0.121961D+01 -0.180321D+00  0.217380D+01 -0.112893D+01  0.236581D+00
      3  -0.180321D+00  0.939735D+00 -0.422511D+00  0.236581D+00 -0.297131D+00
               106           107           108           109           110 
      1   0.111503D+01 -0.484878D+00  0.170024D+00 -0.103431D+01  0.153336D+01
      2  -0.484878D+00  0.133786D+00 -0.834076D-01  0.153336D+01 -0.995370D+00
      3   0.170024D+00 -0.834076D-01  0.129335D+00 -0.105798D+00  0.149722D+00
               111           112           113           114           115 
      1  -0.105798D+00  0.139474D+01 -0.106673D+01  0.821716D-01 -0.259530D+00
      2   0.149722D+00 -0.106673D+01  0.898480D+01 -0.138910D+01  0.261222D+00
      3  -0.807492D-01  0.821716D-01 -0.138910D+01  0.967447D+00  0.612702D-01
               116           117           118           119           120 
      1   0.261222D+00  0.612702D-01  0.149667D+01 -0.202258D+01  0.300415D+00
      2  -0.153997D+01  0.305963D+00 -0.202258D+01  0.224772D+01 -0.349867D+00
      3   0.305963D+00 -0.296712D+00  0.300415D+00 -0.349867D+00  0.364164D+00
               121           122           123           124           125 
      1  -0.203611D+01  0.302469D+01 -0.432034D+00  0.480004D+00 -0.454639D+00
      2   0.302469D+01 -0.992175D+01  0.127535D+01 -0.454639D+00  0.139223D+01
      3  -0.432034D+00  0.127535D+01 -0.982437D+00  0.201526D+00 -0.379225D+00
               126           127           128           129           130 
      1   0.201526D+00 -0.250744D+01  0.365054D+00 -0.190215D+01  0.908868D+00
      2  -0.379225D+00  0.365054D+00 -0.759743D+00  0.336946D+00 -0.180769D+01
      3   0.236655D+00 -0.190215D+01  0.336946D+00 -0.168266D+01  0.463488D+00
               131           132           133           134           135 
      1  -0.180769D+01  0.463488D+00 -0.521081D+01  0.146630D+01 -0.341919D+01
      2   0.148725D+01 -0.102304D+01  0.146630D+01 -0.161371D+01  0.148481D+01
      3  -0.102304D+01  0.851084D+00 -0.341919D+01  0.148481D+01 -0.884961D+01
               136           137           138           139           140 
      1   0.829921D+01 -0.344299D+01  0.932828D+00 -0.388265D+00 -0.361781D+01
      2  -0.344299D+01 -0.216254D+01  0.850925D-01 -0.361781D+01  0.417945D+00
      3   0.932828D+00  0.850925D-01 -0.172583D+01  0.499100D-01  0.283440D+01
               141           142           143           144           145 
      1   0.499100D-01  0.168808D+01 -0.867509D+00 -0.143731D+01 -0.121112D+02
      2   0.283440D+01 -0.867509D+00  0.380900D+01 -0.224947D+00  0.620423D+00
      3   0.163956D+00 -0.143731D+01 -0.224947D+00 -0.560070D+01 -0.143377D+01
               146           147           148           149           150 
      1   0.620423D+00 -0.143377D+01  0.170353D+01 -0.135040D+01  0.102193D+00
      2  -0.104395D+01  0.393397D-02 -0.135040D+01  0.403281D+00 -0.412183D+00
      3   0.393397D-02 -0.110834D+01  0.102193D+00 -0.412183D+00 -0.632393D-03
               151           152           153           154           155 
      1  -0.294691D+01  0.171664D+00 -0.177905D+01 -0.121206D+01  0.627164D-01
      2   0.171664D+00 -0.742753D+00  0.231586D-01  0.627164D-01  0.364847D+00
      3  -0.177905D+01  0.231586D-01 -0.352848D+00  0.107349D+01  0.393342D-01
               156           157           158           159           160 
      1   0.107349D+01  0.179635D+00 -0.283079D+00 -0.761999D-01  0.207970D+01
      2   0.393342D-01 -0.283079D+00 -0.190645D+00  0.104935D+01 -0.637970D-01
      3   0.129710D+00 -0.761999D-01  0.104935D+01 -0.306268D+00 -0.275901D+01
               161           162           163           164           165 
      1  -0.637970D-01 -0.275901D+01  0.783088D+00 -0.757304D+00 -0.627632D+00
      2   0.158998D+01 -0.185547D+00 -0.757304D+00  0.237224D+01  0.589591D+00
      3  -0.185547D+00  0.782014D+01 -0.627632D+00  0.589591D+00  0.254774D+00
               166           167           168           169           170 
      1  -0.163139D+01 -0.658368D+00  0.194497D+00 -0.916917D+00  0.187941D+00
      2  -0.658368D+00 -0.976291D+01 -0.237810D+01  0.187941D+00 -0.382589D+01
      3   0.194497D+00 -0.237810D+01 -0.166714D+01 -0.225976D+00 -0.286548D+01
               171           172           173           174           175 
      1  -0.225976D+00 -0.155170D+01 -0.109676D+01  0.141163D+01 -0.850287D+00
      2  -0.286548D+01 -0.109676D+01 -0.347500D+00  0.505701D+00 -0.140343D+01
      3  -0.141814D+01  0.141163D+01  0.505701D+00 -0.905150D+00  0.626238D+00
               176           177           178           179           180 
      1  -0.140343D+01  0.626238D+00  0.318351D+01  0.210526D+01 -0.164413D+01
      2  -0.459093D+01  0.226915D+01  0.210526D+01  0.496344D+01 -0.500068D+01
      3   0.226915D+01 -0.176000D+01 -0.164413D+01 -0.500068D+01  0.716363D+01
               181           182           183           184           185 
      1  -0.205913D+00  0.314486D+00  0.766123D+00 -0.350174D+00  0.429365D+00
      2   0.314486D+00  0.734803D+00  0.238222D+00  0.429365D+00  0.183129D+00
      3   0.766123D+00  0.238222D+00  0.127548D+01  0.639056D-01  0.532288D+00
               186           187           188           189           190 
      1   0.639056D-01  0.125069D+01 -0.411172D+00 -0.146912D+00 -0.113256D+02
      2   0.532288D+00 -0.411172D+00  0.168128D+01  0.150669D+01  0.436576D+01
      3  -0.115672D+00 -0.146912D+00  0.150669D+01  0.735145D+01  0.846140D-02
               191           192           193           194           195 
      1   0.436576D+01  0.846140D-02  0.192283D+01 -0.160107D+01  0.320905D-01
      2  -0.302881D+01 -0.232464D+00 -0.160107D+01  0.143174D+01 -0.312826D+00
      3  -0.232464D+00 -0.104969D+01  0.320905D-01 -0.312826D+00  0.162721D+00
               196           197           198           199           200 
      1  -0.118609D+01  0.419438D+00 -0.109594D+01  0.707741D+00  0.112189D+01
      2   0.419438D+00 -0.862701D+00  0.542140D+00  0.112189D+01  0.248399D+01
      3  -0.109594D+01  0.542140D+00  0.188070D+00 -0.597458D+00 -0.221701D+00
               201           202           203           204           205 
      1  -0.597458D+00  0.142655D+01  0.106880D+01 -0.344634D+00 -0.109899D+01
      2  -0.221701D+00  0.106880D+01  0.703275D+01 -0.136279D+01  0.648640D-01
      3   0.789426D+00 -0.344634D+00 -0.136279D+01  0.111585D+01  0.475538D+00
               206           207 
      1   0.648640D-01  0.475538D+00
      2  -0.241726D+01  0.125896D+01
      3   0.125896D+01 -0.516545D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.966327D+00  0.274684D-01 -0.283981D+01 -0.170187D+01  0.200806D+00
      2  -0.105209D+01 -0.179882D+01  0.379653D+01  0.139963D+01  0.192445D+01
      3  -0.534427D+01 -0.128860D+02  0.123040D+01  0.754458D+01 -0.468569D+00
                 6             7             8             9            10 
      1  -0.485328D+00 -0.840050D+01  0.571881D+01 -0.117143D+01 -0.134778D+00
      2   0.471217D+01  0.297726D-02  0.115818D+02 -0.220234D+01  0.996705D+00
      3  -0.843928D+00 -0.235614D+01 -0.319334D+01 -0.460371D+01  0.361200D+01
                11            12            13            14            15 
      1  -0.273299D+00  0.100101D+01  0.463633D+00  0.249606D+01  0.872151D+00
      2  -0.332729D+00  0.631959D+01  0.307256D+01 -0.106837D+01 -0.206942D+01
      3  -0.993505D+01  0.583482D+00  0.121220D+02 -0.387663D-01  0.123088D+01
                16            17            18            19            20 
      1   0.414740D+01  0.113316D+02 -0.168365D+01 -0.406596D-01 -0.148389D+00
      2   0.917086D+01 -0.523682D+01  0.288931D+01  0.218834D+01 -0.201741D+01
      3  -0.292140D+01  0.843584D+00  0.197696D+01  0.720933D+01 -0.581847D+01
                21            22            23            24            25 
      1   0.224862D+01  0.900739D+00  0.992117D-01 -0.270811D+01  0.287056D+01
      2  -0.997882D+00 -0.161279D+01  0.400610D-01  0.275128D+01 -0.145050D+02
      3   0.171285D+01  0.450122D+01 -0.793874D+01 -0.650581D+00  0.377963D+01
                26            27            28            29            30 
      1   0.283826D+00  0.103776D+01 -0.383636D+00 -0.265860D+00  0.997861D+00
      2   0.477947D+01 -0.296070D+01  0.118520D+01  0.165110D+01 -0.206106D+01
      3  -0.118920D+01 -0.748595D+01 -0.334840D+01  0.137511D+02 -0.210258D+01
                31            32            33            34            35 
      1  -0.173784D+01  0.193414D+01 -0.493366D+00  0.267500D+01  0.106729D+02
      2   0.782635D+00 -0.120720D+01  0.423535D+00 -0.145033D+02  0.122892D+01
      3   0.133792D+02 -0.121818D+02  0.285217D+01  0.565295D+00  0.212420D+01
                36            37            38            39            40 
      1  -0.281887D+00  0.141386D+01  0.365507D+00 -0.461369D+00 -0.167878D+00
      2  -0.561436D+00 -0.149094D+00 -0.479553D+00 -0.824139D+00 -0.307320D+01
      3  -0.269694D+01 -0.681650D+01  0.492925D+01 -0.602000D+00  0.106904D+02
                41            42            43            44            45 
      1   0.210109D+01 -0.975711D+00 -0.366162D+01  0.733744D+01 -0.857643D+00
      2   0.205965D+01 -0.112469D+01 -0.145016D+02 -0.356451D-01 -0.399794D+00
      3   0.220933D+02 -0.287008D+01 -0.160201D+01 -0.702781D+00  0.421287D+01
                46            47            48            49            50 
      1  -0.142625D+01  0.248100D+00 -0.924640D+00 -0.299489D+00 -0.133489D+00
      2  -0.136948D+00 -0.557740D+00  0.619039D-01 -0.171854D+01 -0.142236D+01
      3  -0.133254D+00 -0.137591D+02  0.126611D+01 -0.476482D+00  0.419408D+01
                51            52            53            54            55 
      1  -0.208826D+01  0.261373D+01  0.154306D+01  0.396700D+00  0.825310D+00
      2  -0.394685D+01 -0.102199D+02 -0.101801D+02  0.288421D+01  0.281913D+00
      3   0.909521D+00  0.157919D+01  0.134704D+01  0.719318D+01  0.414692D+01
                56            57            58            59            60 
      1   0.626381D+00 -0.236049D+01 -0.208886D+01  0.413664D+01 -0.497404D+00
      2  -0.608641D+00  0.856338D+00  0.279014D+00  0.417496D+01  0.731714D+00
      3  -0.217511D+01 -0.580024D+00  0.143940D+02  0.451723D+01 -0.523103D+01
                61            62            63            64            65 
      1  -0.466625D+01  0.776371D+01 -0.547360D+01 -0.487826D+00  0.271419D+00
      2  -0.883389D+01  0.129304D+01 -0.114814D+02 -0.930611D+01  0.117281D+01
      3   0.277606D+01 -0.722673D+01  0.143963D+01 -0.841055D+01 -0.967145D+01
                66            67            68            69            70 
      1  -0.127917D+00  0.156023D+01 -0.142889D+01  0.121983D+01  0.121312D+01
      2   0.759165D+00 -0.978041D+00 -0.286231D+01  0.185166D+01 -0.897765D+01
      3  -0.217098D+00 -0.919807D+01  0.609242D+01  0.429923D+01 -0.136595D+01
                71            72            73            74            75 
      1   0.186927D+01  0.156543D+00 -0.235262D+01 -0.245572D+00  0.136596D+01
      2  -0.252966D+01  0.188167D+02  0.701564D-01  0.517542D+00  0.590700D+01
      3   0.338382D+01  0.509041D+00  0.130032D+02 -0.351279D+01  0.205109D+01
                76            77            78            79            80 
      1   0.602977D+00 -0.479856D+00 -0.632863D+01 -0.448232D+01  0.194001D+01
      2   0.939481D+00  0.273416D+01 -0.195663D+01 -0.372178D+01  0.388146D+01
      3   0.793755D+01 -0.130923D+02 -0.468150D+01  0.522732D+01 -0.676045D+01
                81            82            83            84            85 
      1  -0.196691D+01  0.710210D+00 -0.550222D+01 -0.188610D+01 -0.326327D+01
      2   0.155242D+01  0.332059D+01 -0.956718D+00 -0.168216D+01  0.607984D+00
      3  -0.717950D-01 -0.883609D+01 -0.272810D+01 -0.640405D+00  0.683885D+01
                86            87            88            89            90 
      1   0.516929D+01  0.571029D+01  0.860600D+01  0.200069D+02 -0.124443D+02
      2  -0.129975D+01  0.118386D+01 -0.416435D+01 -0.234855D+01  0.459187D+00
      3  -0.311239D+01  0.563086D+01  0.129945D+01  0.112335D+02 -0.119050D+01
                91            92            93            94            95 
      1  -0.967229D-01 -0.299003D+00 -0.234200D+01  0.309640D+00  0.251580D-02
      2   0.323342D+00  0.279878D+00  0.363237D+01 -0.655284D+00 -0.675339D+00
      3  -0.244842D+01 -0.583276D+01  0.374629D-01 -0.519829D+01 -0.104279D+02
                96            97            98            99           100 
      1  -0.265273D+01  0.111983D+01  0.106873D+01  0.209927D+00  0.229567D+00
      2   0.331909D+01 -0.121101D+01 -0.886599D+00 -0.202667D+00  0.160802D+01
      3   0.636135D+00  0.129819D+01  0.160362D+01 -0.820884D-01  0.261802D+01
               101           102           103           104           105 
      1   0.371768D+00  0.115012D+01  0.518156D-01 -0.104107D+00 -0.627524D+00
      2  -0.257741D+00  0.608104D+01 -0.117321D+01  0.586694D+00 -0.170591D+01
      3  -0.578417D+01  0.129856D+00 -0.510311D+01  0.318974D+01 -0.537072D+00
               106           107           108           109           110 
      1  -0.680325D+00  0.322109D+00  0.669988D-01 -0.543970D+00  0.371206D+00
      2  -0.205216D+01  0.453776D+00  0.440458D+00 -0.804815D+00  0.854879D+00
      3   0.157101D+01 -0.847044D+00  0.227563D+00 -0.677034D+01  0.547398D+01
               111           112           113           114           115 
      1   0.623121D+00  0.635491D+00 -0.959468D+00 -0.413114D+01 -0.576207D+00
      2  -0.144285D-01  0.120768D+01 -0.203000D+01  0.599170D+00 -0.111585D+01
      3  -0.240108D+00  0.865387D+01 -0.158304D+02  0.188171D+01 -0.691138D+00
               116           117           118           119           120 
      1   0.205527D+01  0.491300D+00  0.726878D-01 -0.416942D-01  0.123983D+01
      2   0.282558D+00  0.174621D+00  0.409976D+00 -0.413130D+00  0.104859D+01
      3   0.292246D+01  0.219493D-01  0.171649D+01 -0.163451D+01  0.342045D+00
               121           122           123           124           125 
      1  -0.303823D-01 -0.313815D+00 -0.438582D+01 -0.121744D+00  0.164131D+01
      2  -0.182830D+00  0.238726D+01 -0.270423D+01 -0.881933D+00  0.261818D+00
      3   0.467128D+00  0.172457D+02 -0.216238D+01  0.430546D+00 -0.237382D+01
               126           127           128           129           130 
      1   0.506365D+00  0.212074D+01  0.833615D+00  0.129488D+01  0.986535D+00
      2   0.218876D+00  0.747773D+00 -0.789158D+00  0.275663D+01 -0.105273D+01
      3  -0.105354D+00 -0.229573D+01 -0.330146D+01 -0.141926D+01 -0.203555D+01
               131           132           133           134           135 
      1  -0.370080D+00 -0.157966D+01  0.220892D+01  0.976880D+00  0.747090D+01
      2   0.405107D+00 -0.124266D+01  0.824773D+00 -0.104105D+01  0.119296D+02
      3   0.888577D+00 -0.137271D+01 -0.364842D+01 -0.403584D+00 -0.475053D+00
               136           137           138           139           140 
      1  -0.432203D+01 -0.143525D+01  0.474725D+01  0.796789D+00 -0.115257D+02
      2  -0.541166D+01  0.246347D+01  0.472701D+01  0.210780D+01 -0.458623D+01
      3   0.156821D+02 -0.192499D+02  0.301254D+01 -0.108991D+02 -0.987192D+01
               141           142           143           144           145 
      1  -0.182774D+01  0.226502D+01  0.450716D+01  0.136687D+02 -0.137192D+00
      2  -0.404611D+00  0.247222D+00  0.130829D+01  0.112521D+02  0.501177D+01
      3   0.730865D+01  0.260095D+01  0.681768D+01 -0.455452D+01  0.480795D+01
               146           147           148           149           150 
      1   0.311957D+00 -0.639888D-03 -0.121676D+00 -0.139825D+00 -0.702157D+00
      2  -0.754293D-01  0.603692D+01 -0.489702D+00  0.113092D+01 -0.465279D+00
      3  -0.719497D+01  0.508834D+00 -0.245862D+01  0.221909D+01 -0.135211D+01
               151           152           153           154           155 
      1  -0.466622D+00  0.878898D+00 -0.183438D+00 -0.517800D-02  0.508460D+00
      2   0.388293D+01 -0.618814D-01  0.142461D+01 -0.205564D+01  0.135521D+00
      3   0.734683D+00 -0.336748D+01  0.358221D+00  0.142256D+01  0.122523D+01
               156           157           158           159           160 
      1   0.861822D-01 -0.428867D-01  0.294169D+00 -0.785241D+00 -0.772833D+00
      2   0.457646D+00  0.104480D+01 -0.283021D+01  0.564405D+00  0.237164D+01
      3  -0.361391D+00  0.196228D+01 -0.254762D+00  0.266382D+01 -0.942831D+00
               161           162           163           164           165 
      1   0.461001D+01  0.128910D+01 -0.127433D+01  0.191659D+01  0.116511D+01
      2   0.977698D+00 -0.196682D+02 -0.274610D+00 -0.700072D+00  0.867586D+00
      3   0.643032D+01  0.828146D+00 -0.274835D+01  0.965403D+00  0.266131D+01
               166           167           168           169           170 
      1  -0.476839D+00 -0.700308D+01 -0.653002D+01 -0.105934D+01 -0.662262D+01
      2  -0.386918D+00  0.152077D+01  0.419592D+00 -0.633409D+00  0.780016D+00
      3   0.531749D+01 -0.598165D+01 -0.284921D+01  0.380283D+01 -0.423699D+01
               171           172           173           174           175 
      1  -0.444373D+01  0.318587D+01  0.904376D+00 -0.192002D+01  0.175829D+01
      2   0.712809D+00  0.118757D+01  0.682643D+00  0.891069D+00  0.320589D+00
      3  -0.167923D+01  0.467885D+01  0.115547D+01 -0.330350D+01  0.195378D+01
               176           177           178           179           180 
      1   0.315924D+01 -0.509562D+01 -0.419353D+01 -0.877004D+01  0.171762D+02
      2  -0.596579D+00  0.825872D+00 -0.202668D+01  0.136936D+01 -0.225695D+01
      3  -0.102972D+01  0.269572D-01 -0.847974D+01 -0.265315D+01 -0.514600D+00
               181           182           183           184           185 
      1  -0.149765D+01  0.344964D+00 -0.306230D+01  0.709112D-01 -0.168304D+01
      2  -0.234748D+01 -0.339258D+00 -0.186259D+01  0.156212D+00 -0.920528D+00
      3   0.687920D+00  0.180801D+01  0.205353D+01  0.129507D+01  0.103030D+01
               186           187           188           189           190 
      1  -0.473077D+00 -0.320198D+00  0.357604D+00 -0.178964D+02  0.798526D+00
      2   0.138777D+00 -0.354898D+01 -0.238212D+01 -0.137723D+02  0.368874D+01
      3   0.919564D+00  0.272652D+01  0.268538D+01  0.369593D+01 -0.197514D+02
               191           192           193           194           195 
      1  -0.279400D+00  0.326944D+01 -0.428052D+00  0.126634D+01 -0.113927D+01
      2  -0.613969D+00  0.496017D+01 -0.986750D+00  0.107697D+01 -0.756867D+00
      3   0.420611D+00 -0.778787D+00  0.330347D+01 -0.419862D+00 -0.103993D+01
               196           197           198           199           200 
      1   0.200766D+01 -0.336167D+00 -0.445060D+00  0.237975D+01  0.138888D+01
      2   0.124024D+01 -0.758168D+00 -0.251690D+00  0.991078D+00 -0.225950D+00
      3  -0.179212D+01 -0.133118D+01 -0.121181D+01  0.861918D+01  0.729829D+01
               201           202           203           204           205 
      1  -0.326411D+01  0.174925D+01  0.569032D+01 -0.553042D+01 -0.162705D+01
      2  -0.482348D+00  0.391612D+00  0.145788D+01 -0.114396D+01 -0.182106D+01
      3  -0.293452D+01  0.998629D+01  0.178801D+02 -0.429283D+01 -0.459192D+01
               206           207 
      1  -0.270019D+01  0.196768D+01
      2  -0.143935D+01  0.526490D+00
      3  -0.510582D+01  0.420806D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.769912D+00 -0.184069D+02  0.152305D+01  0.295744D+02  0.157807D+01
      2  -0.494744D+01  0.128710D+02  0.872636D+00 -0.276877D+02 -0.677439D+01
      3   0.417753D+01  0.553588D+01 -0.239568D+01 -0.188672D+01  0.519632D+01
      4  -0.204516D+02  0.989982D+01 -0.340705D+01 -0.821123D+00 -0.174447D+02
      5   0.995335D+00 -0.395949D+01  0.839749D+01  0.414645D+01  0.717156D+01
      6  -0.105154D+01 -0.137052D+01  0.644376D+01  0.547173D+01  0.264480D+01
                 6             7             8             9            10 
      1   0.161830D+01 -0.796613D+01 -0.105353D+01  0.874452D+01 -0.818288D+01
      2  -0.172267D+01  0.859700D+01  0.292637D+01 -0.127672D+02  0.430325D+01
      3   0.104368D+00 -0.630867D+00 -0.187284D+01  0.402267D+01  0.387963D+01
      4   0.700420D+01  0.928655D+00  0.790263D+01  0.165168D+02  0.105893D+02
      5   0.100156D+02  0.274104D+02  0.177484D+02 -0.478657D+01 -0.612116D+01
      6   0.239277D+01  0.105278D+02  0.109854D+02  0.187155D+01  0.239517D+00
                11            12            13            14            15 
      1   0.563974D+01 -0.423282D+01 -0.154516D+02 -0.223385D+02  0.532336D+01
      2  -0.267005D+01  0.203170D+01  0.136386D+02  0.209925D+02 -0.599884D+01
      3  -0.296969D+01  0.220113D+01  0.181304D+01  0.134593D+01  0.675474D+00
      4   0.223393D+02 -0.113449D+00 -0.209649D+02  0.114403D+02 -0.439066D+01
      5  -0.484181D+00  0.139564D+02  0.817078D+01 -0.587773D+01 -0.423640D+01
      6  -0.489361D-01 -0.256433D+01 -0.407821D+01 -0.221685D+01 -0.224896D+01
                16            17            18            19            20 
      1  -0.345236D+01  0.725692D+01  0.179133D+02  0.910280D+01  0.604067D+00
      2  -0.873809D+00 -0.583465D+01 -0.208784D+02 -0.649881D+01 -0.424064D+01
      3   0.432617D+01 -0.142228D+01  0.296510D+01 -0.260398D+01  0.363658D+01
      4   0.996625D+01 -0.189538D+01 -0.431903D+01  0.949418D+01 -0.233279D+02
      5   0.378412D+02 -0.681355D+01  0.552311D+01 -0.213642D+01  0.272146D+01
      6  -0.284507D+01  0.446480D+01  0.266478D+01  0.227413D+00 -0.121641D+01
                21            22            23            24            25 
      1   0.113092D+01  0.621149D+01  0.621342D+01 -0.396076D+01 -0.443877D+00
      2  -0.142585D+01  0.164114D+01 -0.119449D+02  0.534545D+01 -0.383797D+00
      3   0.294931D+00 -0.785263D+01  0.573150D+01 -0.138469D+01  0.827674D+00
      4   0.273023D+01  0.175078D+02  0.100786D+02  0.519945D+00 -0.388552D+01
      5  -0.356950D+01 -0.286971D+01  0.700592D+00  0.352453D+01  0.138166D+01
      6  -0.397041D+01 -0.175452D+01  0.814070D+01  0.568099D+01 -0.730370D+00
                26            27            28            29            30 
      1  -0.293215D+01 -0.151234D+02 -0.350013D+02  0.100649D+02 -0.669291D+00
      2   0.782905D+01  0.368858D+01  0.165950D+02 -0.323737D+01  0.514606D+00
      3  -0.489690D+01  0.114349D+02  0.184063D+02 -0.682756D+01  0.154685D+00
      4  -0.958146D+00  0.977234D+01 -0.108400D+02  0.747544D+01 -0.306725D+01
      5   0.100167D+02 -0.617490D+01  0.634311D+01 -0.223323D+01 -0.107236D+01
      6   0.166298D+02 -0.446043D+01 -0.225099D+01  0.468019D+00 -0.157773D+01
                31            32            33            34            35 
      1   0.126887D+02  0.240816D+01 -0.198718D+01 -0.593104D+01 -0.144976D+01
      2  -0.493362D+01  0.245769D+01  0.423197D+00  0.315197D+01  0.302928D+01
      3  -0.775508D+01 -0.486585D+01  0.156399D+01  0.277907D+01 -0.157953D+01
      4  -0.584613D+01  0.429520D+01 -0.221592D+01  0.198023D+01 -0.370585D+01
      5   0.192218D+00 -0.703200D+00 -0.518952D+00  0.930995D+00  0.771717D+00
      6  -0.812969D+00 -0.422002D-01  0.122493D+00 -0.209104D+01  0.355516D+01
                36            37            38            39            40 
      1  -0.106564D+02 -0.130622D+02 -0.271427D+02  0.426508D+01 -0.182595D+02
      2  -0.252775D+01  0.132962D+02  0.199418D+02 -0.341021D+01  0.651197D+01
      3   0.131841D+02 -0.234034D+00  0.720091D+01 -0.854872D+00  0.117475D+02
      4  -0.154173D+01 -0.656572D+01 -0.361811D+00 -0.253271D+00  0.391963D+00
      5   0.901701D-01 -0.201682D+01 -0.213578D+01 -0.536262D+00 -0.434589D+00
      6  -0.450171D+00 -0.319644D+01 -0.278836D+01  0.159708D+01  0.110081D+01
                41            42            43            44            45 
      1  -0.153425D+02 -0.413605D+00  0.224681D+01 -0.352797D+01 -0.136120D+02
      2   0.154766D+02 -0.178488D+01 -0.315220D+01  0.251273D+01  0.260043D+01
      3  -0.134131D+00  0.219848D+01  0.905390D+00  0.101524D+01  0.110115D+02
      4  -0.814950D+01  0.186407D+00  0.116666D+01 -0.280773D+01 -0.497266D+00
      5  -0.900509D+00 -0.495329D+00  0.111206D+01 -0.257596D+01 -0.162890D+01
      6  -0.141868D+01  0.135074D+01  0.296918D+01  0.102588D+02 -0.736392D-01
                46            47            48            49            50 
      1   0.107186D+02  0.206317D+02 -0.571350D+00 -0.225325D+02  0.153359D+02
      2  -0.118623D+02 -0.143841D+02  0.122367D+01  0.188064D+02 -0.229220D+02
      3   0.114377D+01 -0.624765D+01 -0.652325D+00  0.372611D+01  0.758617D+01
      4   0.754785D+01 -0.159238D+02  0.399177D+01  0.100664D+02  0.282095D+01
      5   0.523941D-01  0.551255D+01 -0.147912D+01 -0.568213D+00 -0.305483D+01
      6   0.441849D+01 -0.140557D+01  0.556991D+00 -0.295642D+01  0.754074D+01
                51            52            53            54            55 
      1  -0.266718D+01  0.440336D+01  0.189765D+01 -0.544007D+01  0.224768D+02
      2   0.467201D+01 -0.622627D+01  0.385800D+01 -0.316117D+01 -0.752315D+01
      3  -0.200483D+01  0.182291D+01 -0.575565D+01  0.860124D+01 -0.149536D+02
      4  -0.344202D+01  0.215450D+01 -0.713575D+01 -0.162812D+02 -0.283049D+01
      5  -0.779158D+01  0.959427D+01 -0.165622D+02  0.595584D+01 -0.378724D+01
      6   0.499524D+01 -0.581165D+01  0.144213D+02 -0.176179D+01  0.366902D+01
                56            57            58            59            60 
      1  -0.135921D+02  0.769317D+00 -0.179750D+02 -0.500796D+00  0.345963D+01
      2   0.117811D+02  0.506008D+00  0.166127D+02 -0.224708D+01 -0.710207D+01
      3   0.181101D+01 -0.127532D+01  0.136226D+01  0.274788D+01  0.364244D+01
      4  -0.889842D+01  0.251442D+01 -0.148555D+02  0.108763D+02  0.722515D+01
      5   0.273179D+01 -0.704201D+01  0.274493D+01  0.760153D+01  0.330841D+01
      6   0.185461D+01  0.420920D+01  0.360357D+01 -0.806041D+01 -0.444045D+01
                61            62            63            64            65 
      1   0.124510D+02  0.485677D+00  0.705941D+01 -0.506702D+02  0.980660D+01
      2   0.687948D+01 -0.121674D+02  0.633397D+01  0.282834D+02 -0.714067D+01
      3  -0.193305D+02  0.116817D+02 -0.133934D+02  0.223868D+02 -0.266593D+01
      4   0.128286D+01  0.904267D+01  0.876724D+01  0.107376D+02  0.627630D+01
      5  -0.131773D+02  0.695680D+01 -0.297146D+02 -0.135752D+02  0.759387D+00
      6   0.964359D+01 -0.437031D+01  0.164257D+02 -0.507231D+00 -0.132625D+01
                66            67            68            69            70 
      1  -0.958952D+01  0.196255D+02  0.119498D+02 -0.839006D+00 -0.149271D+02
      2   0.495006D+01 -0.140556D+02 -0.137988D+02  0.391336D+01  0.221558D+01
      3   0.463946D+01 -0.556986D+01  0.184904D+01 -0.307435D+01  0.127116D+02
      4   0.511615D+00 -0.852526D+00 -0.267311D+01 -0.683063D+01 -0.309165D+01
      5  -0.205203D+01 -0.508573D+01 -0.706149D+01  0.529630D+01 -0.113187D+02
      6   0.622921D+00 -0.299626D+01 -0.176228D+01 -0.472067D+01 -0.269778D+01
                71            72            73            74            75 
      1   0.803575D+00 -0.211390D+00  0.249726D+02  0.862969D+01 -0.229198D+00
      2   0.518925D+00  0.135413D+02 -0.135004D+02 -0.469203D+01 -0.158706D+01
      3  -0.132250D+01 -0.133299D+02 -0.114722D+02 -0.393767D+01  0.181626D+01
      4  -0.289081D+01 -0.388735D+01  0.144636D+02  0.145222D+02  0.646437D+01
      5  -0.206955D+01  0.358312D+02  0.772165D+01  0.387427D+01  0.101010D+02
      6  -0.863352D+00  0.289308D+01  0.532278D+01  0.597960D+01 -0.447054D+01
                76            77            78            79            80 
      1  -0.772960D+01 -0.109797D+02 -0.150163D+01  0.107241D+02 -0.328924D+00
      2   0.859895D+01  0.197475D+02  0.564862D+00 -0.713309D+01  0.180137D+01
      3  -0.869346D+00 -0.876784D+01  0.936770D+00 -0.359101D+01 -0.147244D+01
      4   0.145512D+02  0.185270D+02  0.658572D+01  0.706363D+01  0.767263D+01
      5   0.457642D+01  0.565493D+01 -0.390361D+01  0.116927D+02  0.734976D+01
      6   0.793725D+00  0.599972D+01  0.108261D+02  0.706072D+01  0.128978D+02
                81            82            83            84            85 
      1  -0.744366D+01 -0.101840D+02 -0.633919D+01 -0.329407D+01  0.140780D+02
      2  -0.368965D+01  0.620373D+01  0.129212D+02  0.624328D+01 -0.986168D+01
      3   0.111333D+02  0.398023D+01 -0.658196D+01 -0.294921D+01 -0.421635D+01
      4   0.979081D+01 -0.131340D+01 -0.773477D+01 -0.350796D+01  0.290374D+00
      5   0.277921D+01 -0.298776D+00 -0.112181D+01 -0.723815D+01  0.294823D+01
      6   0.381295D+01 -0.137802D+01  0.506166D+01  0.369808D+01  0.765635D+01
                86            87            88            89            90 
      1   0.408513D+02  0.146215D+01 -0.180271D+02 -0.781914D+01  0.291225D+02
      2  -0.450003D+02 -0.930904D+01  0.130066D+02 -0.590921D+01 -0.192703D+02
      3   0.414905D+01  0.784689D+01  0.502058D+01  0.137284D+02 -0.985217D+01
      4   0.305030D+01  0.417785D+01  0.377975D+01  0.553820D+01 -0.878656D+01
      5   0.375096D+01 -0.242947D+01 -0.670303D+01 -0.972971D+01  0.933680D+01
      6  -0.699077D+01 -0.164389D+02 -0.124730D+02 -0.370048D+02  0.280127D+02
                91            92            93            94            95 
      1   0.404357D+02  0.221877D+02 -0.195859D+01  0.173942D+02  0.120499D+02
      2  -0.139198D+02 -0.452756D+01  0.894025D+00  0.169369D+01  0.783527D+01
      3  -0.265159D+02 -0.176602D+02  0.106456D+01 -0.190879D+02 -0.198852D+02
      4   0.449377D+02  0.340235D+02 -0.218472D+01  0.402044D+02  0.428796D+02
      5  -0.360410D+01 -0.200773D+01  0.684221D+01 -0.406816D+01 -0.374453D+01
      6  -0.456819D+00 -0.459422D+00  0.314426D+01 -0.183803D+01 -0.176694D+01
                96            97            98            99           100 
      1  -0.146283D+01 -0.357986D+00 -0.697666D+00  0.352398D+00  0.102422D+03
      2   0.436784D+00 -0.714188D+00 -0.442968D+00  0.542761D+00 -0.580694D+02
      3   0.102605D+01  0.107217D+01  0.114063D+01 -0.895160D+00 -0.443529D+02
      4  -0.370424D+01 -0.306500D+01 -0.383663D+01  0.306170D+01 -0.267600D+02
      5   0.527644D+01  0.231822D+01  0.161734D+01 -0.817823D+00  0.107205D+02
      6   0.459645D+01  0.145967D+01  0.212936D+01 -0.952454D+00  0.249223D+00
               101           102           103           104           105 
      1  -0.184826D+02  0.699586D+01 -0.173887D+02  0.130581D+02 -0.214273D+01
      2   0.951070D+01 -0.470382D+01  0.787640D+01 -0.593695D+01  0.150424D+01
      3   0.897185D+01 -0.229203D+01  0.951235D+01 -0.712115D+01  0.638491D+00
      4   0.133461D+02 -0.174758D+01  0.211512D+02 -0.987537D+01  0.185064D+01
      5  -0.190386D+01  0.106228D+02 -0.383516D+01  0.206368D+01 -0.260206D+01
      6   0.320028D+00 -0.129380D+01  0.108110D+01 -0.387618D+00  0.196352D+01
               106           107           108           109           110 
      1   0.850717D+01 -0.298391D+01  0.334272D+01 -0.447636D+01  0.489773D+01
      2  -0.488520D+01  0.193020D+01 -0.213794D+01  0.595035D+01 -0.462531D+01
      3  -0.362197D+01  0.105371D+01 -0.120478D+01 -0.147399D+01 -0.272418D+00
      4  -0.393062D+01  0.196091D+01 -0.190644D+01 -0.155301D+01  0.708280D+01
      5   0.413066D+01 -0.104794D+01  0.185993D+01 -0.610111D+00 -0.168592D+00
      6  -0.736704D+00  0.104605D+01 -0.502016D+00 -0.911816D+00  0.125477D+01
               111           112           113           114           115 
      1  -0.119577D+01  0.491584D+01 -0.345467D+02  0.583226D+01 -0.647128D+00
      2   0.629631D+00 -0.527167D+01  0.475354D+02 -0.575364D+01  0.656236D+00
      3   0.566134D+00  0.355829D+00 -0.129887D+02 -0.786203D-01 -0.910810D-02
      4  -0.413647D+00  0.545949D+01  0.135054D+02 -0.265310D+01 -0.278911D+00
      5   0.952306D+00 -0.179819D+00 -0.340930D+01  0.178921D+01  0.712193D+00
      6  -0.577631D+00  0.419162D+00 -0.101258D+02  0.769841D+01 -0.899644D-01
               116           117           118           119           120 
      1   0.585264D+01 -0.246223D+01  0.290244D+01 -0.372001D+01  0.431883D+00
      2  -0.708668D+01  0.251049D+01  0.315421D+01 -0.352678D+01  0.459291D-01
      3   0.123404D+01 -0.482579D-01 -0.605666D+01  0.724679D+01 -0.477812D+00
      4  -0.179590D+01 -0.559904D+00 -0.138704D+02  0.186604D+02 -0.266807D+01
      5  -0.505182D-02  0.301411D+00  0.215959D+01 -0.280450D+01  0.304298D+01
      6   0.395232D+01 -0.237352D+01 -0.161452D+01  0.191317D+01 -0.204587D+01
               121           122           123           124           125 
      1   0.665247D+00 -0.201944D+02  0.273043D+01 -0.551903D-01  0.222209D+01
      2  -0.895919D+01  0.406980D+02 -0.367421D+01  0.125888D+01 -0.416474D+01
      3   0.829394D+01 -0.205036D+02  0.943780D+00 -0.120369D+01  0.194265D+01
      4   0.207485D+02 -0.462158D+02  0.586293D+01 -0.372483D+01  0.651484D+01
      5  -0.288100D+01  0.589895D+01 -0.482579D+01  0.146840D+01 -0.170565D+01
      6   0.292437D+01 -0.854722D+01  0.764787D+01 -0.172463D+01  0.439668D+01
               126           127           128           129           130 
      1  -0.232496D+01  0.259392D+01  0.131248D+01  0.262818D+01  0.325760D+01
      2   0.283746D+01 -0.640921D+01 -0.143939D+01 -0.424890D+01 -0.362832D+01
      3  -0.512497D+00  0.381529D+01  0.126915D+00  0.162072D+01  0.370718D+00
      4  -0.208552D+01 -0.288326D+01  0.609687D+01 -0.358596D+01  0.869341D+01
      5   0.992383D+00  0.952054D+01 -0.243826D+01  0.129090D+02 -0.207198D+01
      6  -0.229671D+01 -0.456247D+01  0.762829D+00 -0.318065D+01  0.204961D+01
               131           132           133           134           135 
      1  -0.455990D+01  0.170000D+01 -0.251862D+01  0.457703D+01 -0.155107D+02
      2   0.211906D+01 -0.117224D+01 -0.811551D+01  0.141759D-01 -0.169516D+02
      3   0.244084D+01 -0.527759D+00  0.106341D+02 -0.459121D+01  0.324623D+02
      4  -0.679008D+01  0.390070D+01 -0.777373D+01  0.644107D+01 -0.662427D+01
      5   0.371466D+01 -0.297158D+01  0.185941D+02 -0.647283D+01  0.319952D+02
      6  -0.251700D+01  0.862785D+01 -0.842145D+01  0.743944D+01 -0.195647D+02
               136           137           138           139           140 
      1  -0.329602D+02  0.278755D+02 -0.150953D+01  0.245585D+02  0.796397D+01
      2   0.646437D+01 -0.255246D+02  0.574757D+01 -0.251996D+02 -0.123317D+02
      3   0.264958D+02 -0.235092D+01 -0.423804D+01  0.641168D+00  0.436772D+01
      4   0.411438D+02 -0.872275D+01  0.200759D+01  0.425179D+01 -0.130988D+02
      5  -0.711391D-01 -0.223272D+01  0.606674D+01 -0.982032D+00 -0.112021D+02
      6   0.467918D+01 -0.503873D-01 -0.778766D+01 -0.238068D+01  0.181625D+02
               141           142           143           144           145 
      1  -0.104187D+02 -0.355898D+01 -0.934731D+01  0.138790D+02  0.808366D+02
      2   0.162362D+02  0.492749D+00  0.200417D+02  0.325110D+01 -0.462368D+02
      3  -0.581745D+01  0.306623D+01 -0.106944D+02 -0.171301D+02 -0.345998D+02
      4  -0.746436D+01  0.727032D+01 -0.117575D+02 -0.790790D+01 -0.266565D+00
      5  -0.374224D+00  0.669041D+01 -0.104109D+01  0.162576D+02  0.111729D+02
      6   0.299731D+01 -0.774644D+01  0.108335D+01 -0.229699D+02  0.853516D+00
               146           147           148           149           150 
      1  -0.460678D+01  0.949606D+01 -0.103515D+02  0.701394D+01 -0.512292D+00
      2   0.313126D+01 -0.542862D+01  0.618928D+01 -0.241085D+01  0.850881D+00
      3   0.147552D+01 -0.406744D+01  0.416224D+01 -0.460310D+01 -0.338589D+00
      4   0.914561D+01  0.156215D+00  0.119484D+02 -0.254709D+01  0.248520D+01
      5  -0.229454D+00  0.997109D+01 -0.814746D+00  0.281294D+01 -0.688279D+00
      6   0.490808D+00  0.268363D+00  0.600317D+00  0.278463D+00  0.146589D+01
               151           152           153           154           155 
      1   0.157508D+02 -0.994845D+00  0.869879D+01  0.792205D+01 -0.314662D+00
      2  -0.101123D+02  0.871370D+00 -0.753523D+01 -0.677029D+01  0.139328D+00
      3  -0.563853D+01  0.123475D+00 -0.116356D+01 -0.115175D+01  0.175335D+00
      4  -0.546316D+00  0.393214D+01  0.193598D+00  0.623093D+00 -0.665001D+00
      5   0.144908D+02 -0.444514D+00  0.431903D+01 -0.605384D+01 -0.339947D+00
      6   0.508081D+00  0.947224D+00 -0.138068D+00 -0.958542D+00 -0.818662D-01
               156           157           158           159           160 
      1  -0.514876D+01 -0.144269D+00 -0.329211D+01  0.167386D+01 -0.775846D+01
      2   0.327951D+01  0.464067D+00  0.671793D+00 -0.778663D+00  0.113328D+02
      3   0.186925D+01 -0.319798D+00  0.262032D+01 -0.895196D+00 -0.357438D+01
      4  -0.116007D+01  0.302305D+01  0.108126D+01 -0.492359D+01 -0.118880D+01
      5   0.449139D+01  0.227030D-01 -0.483315D+01  0.112778D+01  0.182092D+02
      6   0.183408D+00 -0.152702D+01 -0.140047D+01  0.724176D+01  0.220859D+01
               161           162           163           164           165 
      1   0.649447D+00 -0.427995D+01 -0.141481D+01  0.975128D+01  0.366649D+01
      2  -0.109316D+01 -0.203981D+02  0.411718D+01 -0.138386D+02 -0.353696D+01
      3   0.443717D+00  0.246780D+02 -0.270237D+01  0.408735D+01 -0.129535D+00
      4  -0.773783D+01  0.279365D+01 -0.253470D+01  0.914154D+01  0.331969D+01
      5   0.111281D+01 -0.384078D+02 -0.125702D+00  0.135061D+01  0.234642D+01
      6   0.409561D+01 -0.587122D+01  0.412602D+01 -0.443592D+01 -0.204908D+01
               166           167           168           169           170 
      1  -0.109811D+01 -0.411892D+02 -0.102285D+02  0.220266D+01 -0.168768D+02
      2   0.117445D+01  0.599668D+02  0.149558D+02 -0.765161D+00  0.228417D+02
      3  -0.763317D-01 -0.187776D+02 -0.472723D+01 -0.143750D+01 -0.596487D+01
      4   0.639190D+01  0.180822D+01 -0.291467D+00  0.372431D+01  0.212722D+00
      5   0.753613D+00  0.105129D+01  0.130070D+01  0.244609D+01  0.231644D+01
      6  -0.250309D+00  0.189159D+02  0.126959D+02  0.205262D+01  0.206123D+02
               171           172           173           174           175 
      1  -0.133469D+02 -0.313735D+00  0.124425D+00  0.402868D+00 -0.382374D+01
      2   0.128773D+02 -0.124021D+01 -0.597837D+00  0.549541D+00  0.451419D+01
      3   0.469660D+00  0.155394D+01  0.473412D+00 -0.952409D+00 -0.690445D+00
      4   0.721409D+00  0.531665D+01  0.718772D+01 -0.577080D+01  0.419511D+01
      5  -0.242561D+00 -0.420139D+01 -0.379186D+01  0.792237D+01 -0.200227D+01
      6   0.101220D+02 -0.731432D+01 -0.349125D+01  0.424129D+01 -0.409519D+01
               176           177           178           179           180 
      1  -0.204293D+02  0.962913D+01  0.562072D+01  0.236124D+02 -0.284468D+02
      2   0.216682D+02 -0.882697D+01 -0.313835D+01 -0.153566D+02  0.903227D+01
      3  -0.123887D+01 -0.802163D+00 -0.248237D+01 -0.825581D+01  0.194145D+02
      4   0.623463D+01 -0.437422D+01 -0.969270D+01 -0.814675D+01  0.799170D+01
      5  -0.446070D+01  0.322271D+01  0.812227D+01  0.947297D+01 -0.120858D+02
      6  -0.150325D+02  0.147436D+02  0.960320D+01  0.318530D+02 -0.389405D+02
               181           182           183           184           185 
      1   0.962113D+00 -0.507119D+01 -0.551205D+01 -0.173091D+01 -0.440847D+01
      2  -0.168648D+01  0.509900D+01  0.421546D+00  0.152994D+01  0.291253D+01
      3   0.724366D+00 -0.278081D-01  0.509051D+01  0.200969D+00  0.149594D+01
      4  -0.192469D+01  0.741737D+00  0.320188D+01 -0.588599D-01  0.149898D+01
      5  -0.144392D+01  0.498353D+00  0.847352D+00 -0.390719D+00 -0.893307D+00
      6   0.290913D+01  0.194419D+01  0.575917D+01  0.227195D+00  0.232553D+01
               186           187           188           189           190 
      1  -0.170161D+01 -0.380904D+01 -0.658091D+01 -0.200811D+02  0.525728D+02
      2   0.316393D+01  0.795412D+00  0.564855D+01 -0.790329D+01 -0.165347D+02
      3  -0.146232D+01  0.301363D+01  0.932356D+00  0.279844D+02 -0.360381D+02
      4  -0.130129D+01  0.681098D+01 -0.591703D+01  0.981647D-01 -0.568828D+02
      5   0.576565D+00  0.515736D+01 -0.470640D+01 -0.214955D+02 -0.512081D+01
      6   0.479372D+01 -0.610827D+00  0.112240D+02  0.333178D+02  0.557180D+00
               191           192           193           194           195 
      1  -0.125583D+02  0.171628D+01 -0.548420D+01  0.339364D+01  0.817207D+00
      2  -0.321622D+01 -0.601141D+00 -0.350174D+01  0.553719D+01 -0.170001D+01
      3   0.157745D+02 -0.111514D+01  0.898593D+01 -0.893083D+01  0.882808D+00
      4   0.307398D+02 -0.149493D-01  0.179930D+02 -0.129118D+02  0.984579D+00
      5   0.231648D+01  0.854078D+01  0.781662D+00  0.558527D+00 -0.140138D+01
      6  -0.205346D+01 -0.611486D+01 -0.781189D+00 -0.926186D+00  0.191341D+01
               196           197           198           199           200 
      1   0.340299D+01  0.108463D+01  0.329134D+01 -0.248671D+01 -0.147548D+02
      2  -0.113557D+01 -0.345999D+01 -0.250799D+01  0.686328D+01  0.199974D+02
      3  -0.226742D+01  0.237536D+01 -0.783346D+00 -0.437657D+01 -0.524265D+01
      4  -0.445767D+01  0.351022D+01 -0.525674D+01  0.122537D+01  0.186745D+01
      5   0.928156D+01 -0.369519D+01 -0.687035D-01  0.142572D+01  0.126817D+01
      6  -0.552627D+01  0.357826D+01  0.969402D+00 -0.304875D+01 -0.132133D+01
               201           202           203           204           205 
      1   0.214514D+01 -0.926817D+01 -0.326428D+02  0.680198D+01  0.351338D+01
      2  -0.359724D+01  0.103841D+02  0.529645D+02 -0.106679D+02 -0.238134D+01
      3   0.145211D+01 -0.111595D+01 -0.203218D+02  0.386590D+01 -0.113203D+01
      4  -0.182133D+01  0.648327D+01 -0.109881D+02  0.175329D+01 -0.449240D+01
      5  -0.155226D+01  0.184711D+01  0.516120D+01 -0.319960D+01 -0.433194D+00
      6   0.490803D+01 -0.151202D+01 -0.763167D+01  0.856349D+01  0.287424D+01
               206           207 
      1   0.936302D+01 -0.844351D+01
      2  -0.150957D+02  0.753402D+01
      3   0.573270D+01  0.909488D+00
      4   0.585728D+01 -0.535299D-01
      5  -0.309084D+01  0.112635D+01
      6   0.957985D+01 -0.455319D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.443405D+00      0.112702D+01      0.375935D+01
   x          0.145743D+00      0.370443D+00      0.123566D+01
   y          0.325034D+00      0.826155D+00      0.275576D+01
   z          0.264045D+00      0.671136D+00      0.223867D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114717D+03      0.169993D+02      0.189143D+02
   aniso      0.580258D+02      0.859853D+01      0.956716D+01
   xx         0.140762D+03      0.208588D+02      0.232085D+02
   yx        -0.306459D+01     -0.454125D+00     -0.505282D+00
   yy         0.125808D+03      0.186429D+02      0.207430D+02
   zx         0.749567D+00      0.111074D+00      0.123587D+00
   zy        -0.470672D+01     -0.697465D+00     -0.776034D+00
   zz         0.775811D+02      0.114963D+02      0.127914D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.121778D+03      0.180456D+02      0.200784D+02
   aniso      0.615390D+02      0.911914D+01      0.101464D+02
   xx         0.149952D+03      0.222206D+02      0.247238D+02
   yx        -0.259750D+01     -0.384910D+00     -0.428270D+00
   yy         0.132912D+03      0.196955D+02      0.219142D+02
   zx         0.945127D+00      0.140053D+00      0.155830D+00
   zy        -0.481835D+01     -0.714006D+00     -0.794439D+00
   zz         0.824686D+02      0.122206D+02      0.135972D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.11940560          0.76234478          2.90068162
     6          4.96802066         -1.30344315          1.51646181
     6          1.75602990          1.78149465          2.40532750
     6          0.19153261          0.77300257          0.53553123
     6          1.06831974         -1.28817595         -0.86632251
     6          3.44019890         -2.31161053         -0.35704685
     6         -2.38850072          1.89753917         -0.02496951
     6         -3.93702916          0.06579958         -1.62691435
     8         -2.53572682         -0.84992042         -3.71311558
     6         -0.54501922         -2.44176174         -2.91633599
     1          5.29690753          1.57856270          4.36053134
     1          6.81083143         -2.11015173          1.88572780
     1          1.11963508          3.39052865          3.49460750
     1          4.09906380         -3.90930328         -1.45829771
     1         -2.09698021          3.60226998         -1.16552984
     6         -3.87681498          2.63116950          2.34225109
     1         -5.59990352          1.00474854         -2.39997143
     1         -4.58315355         -1.52474227         -0.45201327
     1          0.59442571         -2.83084029         -4.58924234
     1         -1.32301899         -4.25477654         -2.25274808
     1         -4.10278264          1.01084118          3.59991666
     1         -5.75565968          3.31266834          1.82604672
     1         -2.95041874          4.13141277          3.40391193

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.443405D+00      0.112702D+01      0.375935D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.443405D+00      0.112702D+01      0.375935D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114717D+03      0.169993D+02      0.189143D+02
   aniso      0.580258D+02      0.859853D+01      0.956716D+01
   xx         0.133531D+03      0.197873D+02      0.220164D+02
   yx        -0.156602D+02     -0.232060D+01     -0.258202D+01
   yy         0.105591D+03      0.156469D+02      0.174096D+02
   zx         0.139723D+02      0.207048D+01      0.230372D+01
   zy         0.204035D+02      0.302349D+01      0.336409D+01
   zz         0.105029D+03      0.155638D+02      0.173170D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.121778D+03      0.180456D+02      0.200784D+02
   aniso      0.615390D+02      0.911914D+01      0.101464D+02
   xx         0.141947D+03      0.210343D+02      0.234038D+02
   yx        -0.163004D+02     -0.241548D+01     -0.268758D+01
   yy         0.111609D+03      0.165388D+02      0.184019D+02
   zx         0.154659D+02      0.229180D+01      0.254997D+01
   zy         0.212686D+02      0.315168D+01      0.350672D+01
   zz         0.111777D+03      0.165636D+02      0.184295D+02

 ----------------------------------------------------------------------
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 ... FOR AFTERWARDS A MAN FINDS PLEASURE IN HIS PAINS,
 WHEN HE HAS SUFFERED LONG AND WANDERED FAR.

                                    -- HOMER
 Job cpu time:       0 days  4 hours 20 minutes 48.4 seconds.
 Elapsed time:       0 days  0 hours 32 minutes 56.0 seconds.
 File lengths (MBytes):  RWF=    288 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:43:02 2021.
